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8UP8
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BU of 8up8 by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21F, complex with L-Asp)
Descriptor: ASPARTIC ACID, Asparaginase, CHLORIDE ION, ...
Authors:Lubkowski, J, Wlodawer, A, Zhang, D.
Deposit date:2023-10-21
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
8UOW
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BU of 8uow by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant Y21A)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Asparaginase
Authors:Lubkowski, J, Wlodawer, A, Zhang, D.
Deposit date:2023-10-20
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
6CZV
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BU of 6czv by Molmil
BRD4(BD1) complexed with 2759
Descriptor: 1,2-ETHANEDIOL, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, Bromodomain-containing protein 4
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2018-04-09
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
6CZU
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BU of 6czu by Molmil
BRD4(BD1) complexed with 3219
Descriptor: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, Bromodomain-containing protein 4, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2018-04-09
Release date:2018-09-26
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
2K57
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BU of 2k57 by Molmil
Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A.
Descriptor: Putative Lipoprotein
Authors:Hang, D, Aramini, J.A, Rossi, P, Wang, D, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-25
Release date:2008-09-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A.
To be Published
2IWL
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BU of 2iwl by Molmil
Structure of the PX Domain of Phosphoinositide 3-Kinase-C2alpha
Descriptor: PHOSPHATIDYLINOSITOL-4-PHOSPHATE 3-KINASE C2 DOMAIN-CONTAINING ALPHA POLYPEPTIDE, SULFATE ION
Authors:Karathanassis, D, Bravo, J, Williams, R.L.
Deposit date:2006-07-01
Release date:2006-10-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Membrane Binding Analysis of the Phox Homology Domain of Phosphoinositide 3-Kinase- C2{Alpha}.
J.Biol.Chem., 281, 2006
2MR9
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BU of 2mr9 by Molmil
NMR structure of UBA domain of DNA-damage-inducible 1 protein (Ddi1)
Descriptor: DNA damage-inducible protein 1
Authors:Zhang, D, Fushman, D.
Deposit date:2014-07-02
Release date:2015-02-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
8UK6
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BU of 8uk6 by Molmil
Candida albicans glutaminyl tRNA synthetase (GLN4) in complex with N-pyrimidinyl-beta-thiophenylacrylamide
Descriptor: (2E)-N-(pyrimidin-2-yl)-3-(thiophen-2-yl)prop-2-enamide, ZINC ION, glutamine--tRNA ligase
Authors:Sychantha, D, Wright, G.D.
Deposit date:2023-10-12
Release date:2024-03-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Allosteric inhibition of tRNA synthetase Gln4 by N-pyrimidinyl-beta-thiophenylacrylamides exerts highly selective antifungal activity.
Cell Chem Biol, 31, 2024
1H6H
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BU of 1h6h by Molmil
Structure of the PX domain from p40phox bound to phosphatidylinositol 3-phosphate
Descriptor: 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, GLYCEROL, NEUTROPHIL CYTOSOL FACTOR 4
Authors:Karathanassis, D, Bravo, J, Pacold, M, Perisic, O, Williams, R.L.
Deposit date:2001-06-15
Release date:2001-11-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure of the Px Domain from P40Phox Bound to Phosphatidylinositol 3-Phosphate
Mol.Cell, 8, 2001
4U92
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BU of 4u92 by Molmil
Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad
Descriptor: BARIUM ION, DNA (5'-D(*CP*CP*AP*KP*GP*CP*GP*TP*GP*G)-3'), MAGNESIUM ION
Authors:Paukstelis, P.J, Zhang, D, Huang, T, Lukeman, P.
Deposit date:2014-08-05
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad.
Nucleic Acids Res., 42, 2014
2MRO
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BU of 2mro by Molmil
Structure of the complex of ubiquitin and the UBA domain from DNA-damage-inducible 1 protein (Ddi1)
Descriptor: DNA damage-inducible protein 1, Polyubiquitin-B
Authors:Zhang, D, Fushman, D.
Deposit date:2014-07-14
Release date:2015-02-04
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015
4CQO
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BU of 4cqo by Molmil
Structure of the human CNOT1 superfamily homology domain in complex with a Nanos1 peptide
Descriptor: CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 1, NANOS HOMOLOG 1
Authors:Raisch, T, Jonas, S, Weichenrieder, O, Bhandari, D, Izaurralde, E.
Deposit date:2014-02-21
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for the Nanos-Mediated Recruitment of the Ccr4-not Complex and Translational Repression
Genes Dev., 28, 2014
8Y0F
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BU of 8y0f by Molmil
Solution NMR structure of the PTK7-binding DNA aptamer sgc8c
Descriptor: DNA
Authors:He, A, Wan, L, Guo, P, Han, D.
Deposit date:2024-01-22
Release date:2024-06-26
Method:SOLUTION NMR
Cite:Structure-based investigation of a DNA aptamer targeting PTK7 reveals an intricate 3D fold guiding functional optimization
Proc.Natl.Acad.Sci.USA, 2024
7XA7
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BU of 7xa7 by Molmil
Crystal structure of SARS-CoV-2 receptor-binding domain in complex with intermediate horseshoe bat ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Tang, L.F, Zhang, D, Han, P, Qi, J.X.
Deposit date:2022-03-17
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis of SARS-CoV-2 and its variants binding to intermediate horseshoe bat ACE2.
Int J Biol Sci, 18, 2022
1IF1
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BU of 1if1 by Molmil
INTERFERON REGULATORY FACTOR 1 (IRF-1) COMPLEX WITH DNA
Descriptor: DNA (26-MER), PROTEIN (INTERFERON REGULATORY FACTOR 1)
Authors:Escalante, C.R, Yie, J, Thanos, D, Aggarwal, A.
Deposit date:1997-09-12
Release date:1998-02-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of IRF-1 with bound DNA reveals determinants of interferon regulation.
Nature, 391, 1998
5EIV
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BU of 5eiv by Molmil
Crystal structure of complex of osteoclast-associated immunoglobulin-like receptor (OSCAR) and a synthetic collagen consensus peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
Authors:Zhou, L, Blaszczyk, M, Chirgadze, D, Bihan, D, Farndale, R.W.
Deposit date:2015-10-30
Release date:2015-11-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:Structural basis for collagen recognition by the immune receptor OSCAR.
Blood, 127, 2016
1XC7
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BU of 1xc7 by Molmil
Binding of beta-D-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: Kinetic and crystallographic studies
Descriptor: Glycogen phosphorylase, muscle form, N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine, ...
Authors:Chrysina, E.D, Kosmopoulou, M.N, Kardakaris, R, Bischler, N, Leonidas, D.D, Kannan, T, Loganathan, D, Oikonomakos, N.G.
Deposit date:2004-09-01
Release date:2005-02-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Binding of beta-d-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: kinetic and crystallographic studies
Bioorg.Med.Chem., 13, 2005
6U0M
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BU of 6u0m by Molmil
Structure of the S. cerevisiae replicative helicase CMG in complex with a forked DNA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA (15-MER), ...
Authors:Yuan, Z, Georgescu, R, Bai, L, Zhang, D, O'Donnell, M, Li, H.
Deposit date:2019-08-14
Release date:2020-03-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:DNA unwinding mechanism of a eukaryotic replicative CMG helicase.
Nat Commun, 11, 2020
7XQT
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BU of 7xqt by Molmil
The structure of FLA-K*00701/KP-FECV-11
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, peptide from Spike glycoprotein
Authors:Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z.
Deposit date:2022-05-08
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
7XQS
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BU of 7xqs by Molmil
The structure of FLA-K*00701/KP-CoV-9
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, peptide from Spike glycoprotein
Authors:Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z.
Deposit date:2022-05-08
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
7XQU
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BU of 7xqu by Molmil
The structure of FLA-E*00301/EM-FECV-10
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide from Nucleoprotein
Authors:Qiao, P.W, Yue, C, Peng, W.Y, Liu, K.F, Huo, S.T, Zhang, D, Chai, Y, Qi, J.X, Sun, Z.Y, Gao, G.F, Liu, W.J, Wu, G.Z.
Deposit date:2022-05-08
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Analysis of the characteristics of feline major histocompatibility complex class I molecules cross-presenting coronavirus peptides
To Be Published
6M9T
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BU of 6m9t by Molmil
Crystal structure of EP3 receptor bound to misoprostol-FA
Descriptor: (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ...
Authors:Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C.
Deposit date:2018-08-24
Release date:2018-12-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor.
Nat. Chem. Biol., 15, 2019
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
4PXZ
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BU of 4pxz by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSADP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
8X1V
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BU of 8x1v by Molmil
NMR structure of a bimolecular parallel G-quadruplex formed by AAGGG repeats from pathogenic RFC1 gene
Descriptor: DNA (5'-D(*AP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*A)-3')
Authors:Wang, Y, Guo, P, Han, D.
Deposit date:2023-11-08
Release date:2024-01-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural investigation of pathogenic RFC1 AAGGG pentanucleotide repeats reveals a role of G-quadruplex in dysregulated gene expression in CANVAS.
Nucleic Acids Res., 52, 2024

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