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4Z1O
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BU of 4z1o by Molmil
Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from Sulfolobus solfataricus in complex with alpha-phosphoribosylpyrophosphoric acid (PRPP) and Magnesium
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, Phosphoribosyltransferase
Authors:Christoffersen, S.
Deposit date:2015-03-27
Release date:2015-04-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from Sulfolobus solfataricus in complex with alpha-phosphoribosylpyrophosphoric acid (PRPP) and Magnesium
to be published
7HK3
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BU of 7hk3 by Molmil
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000053963
Descriptor: 1-benzofuran-2-carboxylic acid, De novo designed ABLE protein
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-10-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment screen against ABLE
To be published
3N2K
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BU of 3n2k by Molmil
TUBULIN-NSC 613862: RB3 Stathmin-like domain complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Barbier, P, Dorleans, A, Devred, F, Sanz, L, Allegro, D, Alfonso, C, Knossow, M, Peyrot, V, Andreu, J.M.
Deposit date:2010-05-18
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Stathmin and interfacial microtubule inhibitors recognize a naturally curved conformation of tubulin dimers.
J.Biol.Chem., 285, 2010
7LAY
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BU of 7lay by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD3 bound to SG3-179
Descriptor: 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 3, ...
Authors:Karim, M.R, Bikowitz, M.J, Schonbrunn, E.
Deposit date:2021-01-07
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
5TXT
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BU of 5txt by Molmil
Structure of asymmetric apo/holo ALAS dimer from S. cerevisiae
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, 5-aminolevulinate synthase, mitochondrial, ...
Authors:Brown, B.L, Grant, R.A, Kardon, J.R, Sauer, R.T, Baker, T.A.
Deposit date:2016-11-17
Release date:2018-03-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Mitochondrial Aminolevulinic Acid Synthase, a Key Heme Biosynthetic Enzyme.
Structure, 26, 2018
4R06
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BU of 4r06 by Molmil
Crystal Structure of SR2067 bound to PPARgamma
Descriptor: 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION
Authors:Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B.
Deposit date:2014-07-30
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism.
Acs Chem.Biol., 11, 2016
6LKB
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BU of 6lkb by Molmil
Crystal Structure of the peptidylprolyl isomerase domain of Arabidopsis thaliana CYP71.
Descriptor: COBALT (II) ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Lakhanpal, S, Jobichen, C, Swaminathan, K.
Deposit date:2019-12-18
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural and functional analyses of the PPIase domain of Arabidopsis thaliana CYP71 reveal its catalytic activity toward histone H3.
Febs Lett., 595, 2021
5IYW
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BU of 5iyw by Molmil
Protruding domain of GII.4 human norovirus CHDC2094 in complex with 3-fucosyllactose (3FL)
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, VP1, ...
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2016-03-24
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural basis for GII.4 norovirus inhibition by human milk oligosaccharides.
To be published
6FDX
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BU of 6fdx by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086
Descriptor: (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, FORMIC ACID, GUANIDINE, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2017-12-27
Release date:2019-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:TbrPDEB1 structure with inhibitor NPD-1086
To be published
7HJD
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BU of 7hjd by Molmil
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000164504
Descriptor: 1,3-benzodioxol-5-ol, De novo designed ABLE protein
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-10-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Fragment screen against ABLE
To be published
7HJH
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BU of 7hjh by Molmil
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000159056
Descriptor: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, De novo designed ABLE protein
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-10-08
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment screen against ABLE
To be published
6SW6
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BU of 6sw6 by Molmil
Crystal structure R264H mutant of the human S-adenosylmethionine synthetase 1
Descriptor: S-adenosylmethionine synthase isoform type-1
Authors:Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2019-09-19
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of the dominant inheritance of hypermethioninemia associated with the Arg264His mutation in the MAT1A gene.
Acta Crystallogr D Struct Biol, 76, 2020
2V3Q
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BU of 2v3q by Molmil
Serendipitous discovery and X-ray structure of a human phosphate binding apolipoprotein
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HUMAN PHOSPHATE BINDING PROTEIN, ...
Authors:Morales, R, Berna, A, Carpentier, P, Elias, M, Contreras-Martel, C, Renault, F, Nicodeme, M, Chesne-Seck, M.-L, Bernier, F, Dupuy, J, Schaeffer, C, Diemer, H, Van Dorsselaer, A, Fontecilla, J.C, Masson, P, Rochu, D, Chabriere, E.
Deposit date:2007-06-20
Release date:2008-07-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Tandem Use of X-Ray Crystallography and Mass Spectrometry to Obtain Ab Initio the Complete and Exact Amino Acids Sequence of Hpbp, a Human 38kDa Apolipoprotein
Proteins: Struct., Funct., Bioinf., 71, 2008
4JQR
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BU of 4jqr by Molmil
Crystal structure of a DUF4465 family protein (BACCAC_02373) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-03-20
Release date:2013-04-10
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a hypothetical protein (BACCAC_02373) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
To be published
9EJH
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BU of 9ejh by Molmil
Peptide-independent T cell receptor recognition of HLA-DQ2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, G9 T cell receptor alpha chain, ...
Authors:Lim, J.J, Loh, T.J, Reid, H.H, Rossjohn, J.
Deposit date:2024-11-27
Release date:2025-03-26
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A naturally selected alpha beta T cell receptor binds HLA-DQ2 molecules without co-contacting the presented peptide.
Nat Commun, 16, 2025
4OVY
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BU of 4ovy by Molmil
Crystal structure of Haloacid dehalogenase domain protein hydrolase from Planctomyces limnophilus DSM 3776
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Chang, C, Gu, M, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-01-24
Release date:2014-02-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Haloacid dehalogenase domain protein hydrolase from Planctomyces limnophilus DSM 3776
To be published
1RBS
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BU of 1rbs by Molmil
STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H.
Deposit date:1993-02-16
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
6T1M
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BU of 6t1m by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4
Descriptor: 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-10-04
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
4OAD
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BU of 4oad by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with chloramphenicol
Descriptor: 1,2-ETHANEDIOL, CHLORAMPHENICOL, GNAT superfamily acetyltransferase PA4794, ...
Authors:Majorek, K.A, Niedzialkowska, E, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-01-04
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with chloramphenicol
To be Published
9L8I
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BU of 9l8i by Molmil
Rhodothermus marines cellobiose 2-epimerase RmCE in complex with mannobiose
Descriptor: CHLORIDE ION, Cellobiose 2-epimerase, PHOSPHATE ION, ...
Authors:Saburi, W, Muto, H, Jaito, N, Kato, K, Yu, J, Yao, M, Mori, H.
Deposit date:2024-12-27
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural analysis of the mechanism for the catalysis and specificity of cellobiose 2-epimerase from Rhodothermus marinus.
Biosci.Biotechnol.Biochem., 89, 2025
4ZAU
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BU of 4zau by Molmil
AZD9291 complex with wild type EGFR
Descriptor: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
Authors:Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
Deposit date:2015-04-14
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
7EL9
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BU of 7el9 by Molmil
Structure of Machupo virus L polymerase in complex with Z protein and 3'-vRNA (dimeric complex)
Descriptor: MANGANESE (II) ION, Machupo virus 3'-vRNA promoter, RING finger protein Z, ...
Authors:Peng, R, Xu, X, Peng, Q, Shi, Y.
Deposit date:2021-04-09
Release date:2021-05-05
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals.
Nat Microbiol, 6, 2021
9KWH
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BU of 9kwh by Molmil
Crystal structure of S. aureus tryptophanyl-tRNA synthetase complexed with chuangxinmycin
Descriptor: (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, Tryptophan--tRNA ligase
Authors:Ren, Y, Qiao, H, Wang, S, Liu, W, Fang, P.
Deposit date:2024-12-05
Release date:2025-07-23
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Mechanistic insights into the ATP-mediated and species-dependent inhibition of TrpRS by chuangxinmycin.
Rsc Chem Biol, 6, 2025
3I85
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BU of 3i85 by Molmil
The Crystal Structure of Human EMMPRIN N-terminal Domain 1
Descriptor: Cervical EMMPRIN
Authors:Luo, J, Gilliland, G.L.
Deposit date:2009-07-09
Release date:2009-10-06
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the EMMPRIN N-terminal domain 1: Dimerization via beta-strand swapping.
Proteins, 77, 2009
9KXB
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BU of 9kxb by Molmil
Crystal structure of S. aureus tryptophanyl-tRNA synthetase complexed with 3-methylchuangxinmycin
Descriptor: (6~{R})-5,5-dimethyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, Tryptophan--tRNA ligase
Authors:Ren, Y, Qiao, H, Wang, S, Liu, W, Fang, P.
Deposit date:2024-12-06
Release date:2025-07-23
Last modified:2025-09-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanistic insights into the ATP-mediated and species-dependent inhibition of TrpRS by chuangxinmycin.
Rsc Chem Biol, 6, 2025

244693

数据于2025-11-12公开中

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