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PDB: 69 results

8XYW
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BU of 8xyw by Molmil
De novo designed protein Trx-3
Descriptor: De novo designed Trx-3
Authors:Liu, J.L, Guo, Z, Lai, L.H.
Deposit date:2024-01-20
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:All-Atom Protein Sequence Design Based on Geometric Deep Learning.
Angew.Chem.Int.Ed.Engl., 2024
8XYR
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BU of 8xyr by Molmil
De novo designed protein GPX4-2
Descriptor: De novo designed GPX4-2
Authors:Liu, L.J, Guo, Z, Lai, L.H.
Deposit date:2024-01-20
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:All-Atom Protein Sequence Design Based on Geometric Deep Learning.
Angew.Chem.Int.Ed.Engl., 2024
8XYV
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BU of 8xyv by Molmil
De novo designed protein 0705-5
Descriptor: De novo designed protein 0705-5
Authors:Liu, J.L, Guo, Z, Lai, L.H.
Deposit date:2024-01-20
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:All-Atom Protein Sequence Design Based on Geometric Deep Learning.
Angew.Chem.Int.Ed.Engl., 2024
8XYU
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BU of 8xyu by Molmil
De novo designed protein GPX4-3
Descriptor: De novo designed GPX4-3
Authors:Guo, Z, Liu, J.L, Lai, L.H.
Deposit date:2024-01-20
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:All-Atom Protein Sequence Design Based on Geometric Deep Learning.
Angew.Chem.Int.Ed.Engl., 2024
8XYS
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BU of 8xys by Molmil
De novo designed protein GPX4-1
Descriptor: De novo designed GPX4-1
Authors:Liu, J.L, Guo, Z, Lai, L.H.
Deposit date:2024-01-20
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:All-Atom Protein Sequence Design Based on Geometric Deep Learning.
Angew.Chem.Int.Ed.Engl., 2024
8XYT
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BU of 8xyt by Molmil
De novo designed protein GPX4-4
Descriptor: De novo designed GPX4-4
Authors:Liu, J.L, Guo, Z, Lai, L.H.
Deposit date:2024-01-20
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:All-Atom Protein Sequence Design Based on Geometric Deep Learning.
Angew.Chem.Int.Ed.Engl., 2024
7C0N
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BU of 7c0n by Molmil
Crystal structure of a self-assembling galactosylated peptide homodimer
Descriptor: SULFATE ION, Self-assembling galactosylated tyrosine-rich peptide, beta-D-galactopyranose
Authors:He, C, Wu, S, Chi, C, Zhang, W, Ma, M, Lai, L, Dong, S.
Deposit date:2020-05-01
Release date:2020-10-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Glycopeptide Self-Assembly Modulated by Glycan Stereochemistry through Glycan-Aromatic Interactions.
J.Am.Chem.Soc., 142, 2020
4A5V
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BU of 4a5v by Molmil
Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4
Descriptor: MICRONEMAL PROTEIN 4
Authors:Marchant, J, Cowper, B, Liu, Y, Lai, L, Pinzan, C, Marq, J.B, Friedrich, N, Sawmynaden, K, Chai, W, Childs, R.A, Saouros, S, Simpson, P, Barreira, M.C.R, Feizi, T, Soldati-Favre, D, Matthews, S.
Deposit date:2011-10-28
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Galactose Recognition by the Apicomplexan Parasite Toxoplasma Gondii.
J.Biol.Chem., 287, 2012
3TKK
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BU of 3tkk by Molmil
Crystal Structure Analysis of a recombinant predicted acetamidase/ formamidase from the thermophile thermoanaerobacter tengcongensis
Descriptor: CALCIUM ION, Predicted acetamidase/formamidase, ZINC ION
Authors:Qian, M, Huang, Q, Wu, G, Lai, L, Tang, Y, Pei, J, Kusunoki, M.
Deposit date:2011-08-26
Release date:2011-11-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure Analysis of a Recombinant Predicted Acetamidase/Formamidase from the Thermophile Thermoanaerobacter tengcongensis.
PROTEIN J., 31, 2012
2KI0
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BU of 2ki0 by Molmil
NMR Structure of a de novo designed beta alpha beta
Descriptor: DS119
Authors:Liang, H, Chen, H, Fan, K, Wei, P, Guo, X, Jin, C, Zeng, C, Tang, C, Lai, L.
Deposit date:2009-04-18
Release date:2009-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:De novo design of a beta alpha beta motif.
Angew.Chem.Int.Ed.Engl., 48, 2009
3OX8
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BU of 3ox8 by Molmil
Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
3OXR
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BU of 3oxr by Molmil
Crystal Structure of HLA A*02:06 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-21
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
3OXS
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BU of 3oxs by Molmil
Crystal Structure of HLA A*02:07 Bound to HBV Core 18-27
Descriptor: 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen
Authors:Liu, J, Chen, Y, Lai, L, Ren, E.
Deposit date:2010-09-22
Release date:2011-05-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines.
Eur.J.Immunol., 41, 2011
5HQD
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BU of 5hqd by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CALCIUM ION, Thermolysin, ZINC ION
Authors:Roesser, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-21
Release date:2016-02-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5F81
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BU of 5f81 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2015-12-08
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
5HL4
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BU of 5hl4 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
6DNA
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BU of 6dna by Molmil
Crystal structure of T110A mutant human Glutamate oxaloacetate transaminase 1 (GOT1)
Descriptor: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
Deposit date:2018-06-06
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
6XNN
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BU of 6xnn by Molmil
Crystal Structure of Mouse STING CTD complex with SR-717.
Descriptor: 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, Stimulator of interferon genes protein
Authors:Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
6XNP
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BU of 6xnp by Molmil
Crystal Structure of Human STING CTD complex with SR-717
Descriptor: 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ...
Authors:Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L.
Deposit date:2020-07-03
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic.
Science, 369, 2020
6DND
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BU of 6dnd by Molmil
Crystal structure of wild-type (WT) human Glutamate oxaloacetate transaminase 1 (GOT1)
Descriptor: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
Deposit date:2018-06-06
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
6DNB
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BU of 6dnb by Molmil
Crystal structure of T110A:S256A mutant human Glutamate oxaloacetate transaminase 1 (GOT1)
Descriptor: Aspartate aminotransferase, cytoplasmic, GLYCEROL, ...
Authors:Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
Deposit date:2018-06-06
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
6TKV
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BU of 6tkv by Molmil
Crystal structure of the human FUT8 in complex with GDP and a biantennary complex N-glycan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
Authors:Garcia-Garcia, A, Ceballos-Laita, L, Serna, L, Artschwager, R, Reichardt, N.C, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2019-11-29
Release date:2020-01-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for substrate specificity and catalysis of alpha 1,6-fucosyltransferase.
Nat Commun, 11, 2020
6S22
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BU of 6s22 by Molmil
Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and FGF23c
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2019-06-20
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3.
Nat.Chem.Biol., 16, 2020
6S24
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BU of 6s24 by Molmil
Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and the peptide 3
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO, ...
Authors:de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2019-06-20
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3.
Nat.Chem.Biol., 16, 2020
2WQQ
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BU of 2wqq by Molmil
Crystallographic analysis of monomeric CstII
Descriptor: ALPHA-2,3-/2,8-SIALYLTRANSFERASE, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER
Authors:Chan, P.H.W, Lairson, L.L, Lee, H.J, Wakarchuk, W.W, Strynadka, N.C.J, Withers, S.G, McIntosh, L.P.
Deposit date:2009-08-25
Release date:2009-10-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:NMR Spectroscopic Characterization of the Sialyltransferase Cstii from Camplyobacter Jejuni: Histidine 188 is the General Base.
Biochemistry, 48, 2009

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