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8BI5
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BU of 8bi5 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0737
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
Authors:Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human Choline Kinase A in complex with UNC0737
To Be Published
4OU6
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BU of 4ou6 by Molmil
Crystal structure of DnaT84-153-dT10 ssDNA complex form 1
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Primosomal protein 1
Authors:Liu, Z, Chen, P, Niu, L, Teng, M, Li, X.
Deposit date:2014-02-15
Release date:2014-08-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure of DnaT84-153-dT10 ssDNA complex reveals a novel single-stranded DNA binding mode.
Nucleic Acids Res., 42, 2014
6XHU
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BU of 6xhu by Molmil
Room temperature X-ray crystallography reveals oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL Mpro: Insights for enzyme mechanism and drug design
Descriptor: 3C-like proteinase
Authors:Kneller, D.W, Coates, L, Kovalevsky, A.
Deposit date:2020-06-19
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design.
Iucrj, 7, 2020
5DFZ
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BU of 5dfz by Molmil
Structure of Vps34 complex II from S. cerevisiae.
Descriptor: Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ...
Authors:Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L.
Deposit date:2015-08-27
Release date:2015-10-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes.
Science, 350, 2015
4OUE
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BU of 4oue by Molmil
Crystal structure of an a-L-Fucosidase GH29 from Bacteroides thetaiotaomicron (BT2192) in complex with IPTG
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, GLYCEROL, Putative lipoprotein
Authors:Lafite, P, Daniellou, R, Guillotin, L.
Deposit date:2014-02-16
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Unraveling the Substrate Recognition Mechanism and Specificity of the Unusual Glycosyl Hydrolase Family 29 BT2192 from Bacteroides thetaiotaomicron.
Biochemistry, 53, 2014
8BI6
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BU of 8bi6 by Molmil
Crystal structure of human Choline Kinase A in complex with UNC0638
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ...
Authors:Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2022-11-01
Release date:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Choline Kinase A in complex with UNC0638
To Be Published
8P1W
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BU of 8p1w by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-12
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8P4B
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BU of 8p4b by Molmil
Structural insights into human co-transcriptional capping - structure 2
Descriptor: DNA (35-MER), DNA (5'-D(P*AP*GP*CP*GP*GP*CP*GP*GP*AP*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*AP*GP*CP*TP*G)-3'), DNA-directed RNA polymerase II subunit E, ...
Authors:Garg, G, Dienemann, C, Farnung, L, Schwarz, J, Linden, A, Urlaub, H, Cramer, P.
Deposit date:2023-05-20
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into human co-transcriptional capping.
Mol.Cell, 83, 2023
5DJ3
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BU of 5dj3 by Molmil
Structure of the PLP-Dependent L-Arginine Hydroxylase MppP with D-Arginine Bound
Descriptor: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP
Authors:Silvaggi, N.R, Han, L.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway.
Biochemistry, 54, 2015
4OHJ
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BU of 4ohj by Molmil
Crystal structure of toxic shock syndrome toxin-1 (TSST-1) from Staphylococcus aureus
Descriptor: Toxic shock syndrome toxin-1
Authors:Filippova, E.V, Shuvalova, L, Flores, K, Dubrovska, I, Bishop, B, Ngo, H, Yeats, C, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-17
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystal structure of toxic shock syndrome toxin-1 (TSST-1) from Staphylococcus aureus
To be Published
2QVO
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BU of 2qvo by Molmil
Crystal structure of AF1382 from Archaeoglobus fulgidus
Descriptor: Uncharacterized protein AF_1382
Authors:Zhu, J, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2007-08-08
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of AF1382 from Archaeoglobus fulgidus.
To be Published
1I04
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BU of 1i04 by Molmil
CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN-I FROM MOUSE LIVER
Descriptor: MAJOR URINARY PROTEIN I
Authors:Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V.
Deposit date:2001-01-28
Release date:2001-02-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of pheromone binding to mouse major urinary protein (MUP-I)
Protein Sci., 10, 2001
8BF9
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BU of 8bf9 by Molmil
Molecular view of ER membrane remodeling by the Sec61/TRAP translocon.
Descriptor: 60S ribosomal protein L39, Large ribosomal subunit protein eL31, Large ribosomal subunit protein eL38, ...
Authors:Karki, S, Javanainen, M, Tranter, D, Rehan, S, Huiskonen, J, Happonen, L, Paavilainen, V.
Deposit date:2022-10-24
Release date:2023-11-01
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Molecular view of ER membrane remodeling by the Sec61/TRAP translocon.
Embo Rep., 24, 2023
1I06
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BU of 1i06 by Molmil
CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH SEC-BUTYL-THIAZOLINE
Descriptor: 2-(SEC-BUTYL)THIAZOLE, CADMIUM ION, MAJOR URINARY PROTEIN I
Authors:Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V.
Deposit date:2001-01-28
Release date:2001-02-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Pheromone Binding to Mouse Major Urinary Protein (MUP-I)
Protein Sci., 10, 2001
1I05
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BU of 1i05 by Molmil
CRYSTAL STRUCTURE OF MOUSE MAJOR URINARY PROTEIN (MUP-I) COMPLEXED WITH HYDROXY-METHYL-HEPTANONE
Descriptor: 6-HYDROXY-6-METHYL-HEPTAN-3-ONE, CADMIUM ION, MAJOR URINARY PROTEIN I
Authors:Timm, D.E, Baker, L.J, Mueller, H, Zidek, L, Novotny, M.V.
Deposit date:2001-01-28
Release date:2001-02-14
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Pheromone Binding to Mouse Major Urinary Protein (MUP-I)
Protein Sci., 10, 2001
2QWO
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BU of 2qwo by Molmil
Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #1
Descriptor: ACETIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007
8P4H
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BU of 8p4h by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A
Descriptor: 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-21
Release date:2023-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
4P0C
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BU of 4p0c by Molmil
Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2
Descriptor: CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF2/Lysophosphatidic acid receptor 2 chimeric protein, THIOCYANATE ION
Authors:Holcomb, J, Jiang, Y, Lu, G, Trescott, L, Brunzelle, J, Sirinupong, N, Li, C, Naren, A, Yang, Z.
Deposit date:2014-02-20
Release date:2014-05-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.339 Å)
Cite:Structural insights into PDZ-mediated interaction of NHERF2 and LPA2, a cellular event implicated in CFTR channel regulation.
Biochem.Biophys.Res.Commun., 446, 2014
8P4C
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BU of 8p4c by Molmil
Structural insights into human co-transcriptional capping - structure 3
Descriptor: DNA (32-MER), DNA (41-MER), DNA-directed RNA polymerase II subunit E, ...
Authors:Garg, G, Dienemann, C, Farnung, L, Schwarz, J, Linden, A, Urlaub, H, Cramer, P.
Deposit date:2023-05-20
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural insights into human co-transcriptional capping.
Mol.Cell, 83, 2023
8BG6
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BU of 8bg6 by Molmil
SARS-CoV-2 S protein in complex with pT1644 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pT1644 Fab heavy chain, ...
Authors:Stroeh, L, Hansen, G, Vollmer, B, Krey, T, Benecke, T, Gruenewald, K.
Deposit date:2022-10-27
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (4.11 Å)
Cite:Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
5DQR
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BU of 5dqr by Molmil
The crystal structure of Arabidopsis 7-hydroxymethyl chlorophyll a reductase (HCAR)
Descriptor: 7-hydroxymethyl chlorophyll a reductase, chloroplastic, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Wang, X, Liu, L.
Deposit date:2015-09-15
Release date:2016-04-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Catalytic Mechanism of 7-Hydroxymethyl Chlorophyll a Reductase
J.Biol.Chem., 291, 2016
4OAJ
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BU of 4oaj by Molmil
Crystal structure of the complex between SAP97 PDZ2 and 5HT2A receptor peptide
Descriptor: 5-hydroxytryptamine receptor 2A peptide, Disks large homolog 1
Authors:Pandalaneni, S, Dorr, L, Mayans, O, Lian, L.-Y.
Deposit date:2014-01-04
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the complex between SAP97 PDZ2 and 5HT2A receptor peptide
To be Published
8P1T
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BU of 8p1t by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470
Descriptor: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
Authors:Thomsen, M, Thieulin-Pardo, G, Neumann, L.
Deposit date:2023-05-12
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.442 Å)
Cite:Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
2QGG
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BU of 2qgg by Molmil
X-Ray structure of the protein Q6F7I0 from Acinetobacter calcoaceticus AmMS 248. Northeast Structural Genomics Consortium target AsR73.
Descriptor: 16S rRNA-processing protein rimM, POTASSIUM ION, UNKNOWN LIGAND
Authors:Kuzin, A.P, Su, M, Jayaraman, S, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-06-28
Release date:2007-07-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-Ray structure of the protein Q6F7I0 from Acinetobacter calcoaceticus AmMS 248.
To be Published
8P4A
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BU of 8p4a by Molmil
Structural insights into human co-transcriptional capping - structure 1
Descriptor: DNA (29-MER), DNA (38-MER), DNA-directed RNA polymerase II subunit E, ...
Authors:Garg, G, Dienemann, C, Farnung, L, Schwarz, J, Linden, A, Urlaub, H, Cramer, P.
Deposit date:2023-05-20
Release date:2023-08-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into human co-transcriptional capping.
Mol.Cell, 83, 2023

224004

数据于2024-08-21公开中

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