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5SDD
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BU of 5sdd by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434879
Descriptor: 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
Authors:Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (1.839 Å)
Cite:PanDDA analysis group deposition
To Be Published
5SDM
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BU of 5sdm by Molmil
PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1328078283
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
Authors:Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A.
Deposit date:2022-01-20
Release date:2022-02-09
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:PanDDA analysis group deposition
To Be Published
3GUE
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BU of 3gue by Molmil
Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, SULFATE ION, ...
Authors:Wernimont, A.K, Marino, K, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-03-29
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
To be Published
5SL5
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BU of 5sl5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32014663
Descriptor: N,N,2,3-tetramethylbenzamide, PHOSPHATE ION, Proofreading exoribonuclease nsp14, ...
Authors:Imprachim, N, Yosaatmadja, Y, von-Delft, F, Bountra, C, Gileadi, O, Newman, J.A.
Deposit date:2022-03-03
Release date:2022-03-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:PanDDA analysis group deposition
To Be Published
4JFX
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BU of 4jfx by Molmil
Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide
Descriptor: Fab heavy chain, Fab light chain, Phosphopeptide, ...
Authors:Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
Deposit date:2013-02-28
Release date:2013-09-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
3CQ3
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BU of 3cq3 by Molmil
Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein (other form) from Thermus Thermophilus HB8
Descriptor: GLYCEROL, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ...
Authors:Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Satoh, S, Kitamura, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-04-02
Release date:2009-04-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein (other form) from Thermus Thermophilus HB8
To be Published
4B9Y
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BU of 4b9y by Molmil
Crystal Structure of Apo Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31
Descriptor: 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE, PUTATIVE, ...
Authors:Larsbrink, J, Izumi, A, Hemsworth, G.R, Davies, G.J, Brumer, H.
Deposit date:2012-09-09
Release date:2012-11-14
Last modified:2013-01-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Enzymology of Cellvibrio Japonicus Agd31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31
J.Biol.Chem., 287, 2012
4J0I
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BU of 4j0i by Molmil
Tannin acyl hydrolase in complex with 3,4-dihydroxybenzoate
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
Authors:Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, Chen, Q, McKinstry, W.J.
Deposit date:2013-01-30
Release date:2013-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
2JSM
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BU of 2jsm by Molmil
MONOMERIC HUMAN TELOMERE DNA TETRAPLEX WITH 3+1 STRAND FOLD TOPOLOGY, TWO EDGEWISE LOOPS AND DOUBLE-CHAIN REVERSAL LOOP, NMR, 10 STRUCTURES, Form 1 Natural
Descriptor: HUMAN TELOMERE DNA
Authors:Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J.
Deposit date:2007-07-09
Release date:2008-07-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution
Nucleic Acids Res., 35, 2007
3WSJ
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BU of 3wsj by Molmil
HTLV-1 protease in complex with the HIV-1 protease inhibitor Indinavir
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, Protease, SULFATE ION, ...
Authors:Kuhnert, M, Steuber, H, Diederich, W.E.
Deposit date:2014-03-14
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Structural basis for HTLV-1 protease inhibition by the HIV-1 protease inhibitor indinavir.
J.Med.Chem., 57, 2014
2R0P
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BU of 2r0p by Molmil
K252c-soaked RebC
Descriptor: 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ryan, K.S, Drennan, C.L.
Deposit date:2007-08-20
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic trapping in the rebeccamycin biosynthetic enzyme RebC
Proc.Natl.Acad.Sci.Usa, 104, 2007
5SPY
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BU of 5spy by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300019621104
Descriptor: 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2QTG
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BU of 2qtg by Molmil
Crystal Structure of Arabidopsis thaliana 5'-Methylthioadenosine nucleosidase in complex with 5'-methylthiotubercidin
Descriptor: 1,2-ETHANEDIOL, 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 5'-methylthioadenosine nucleosidase
Authors:Siu, K.K.W, Howell, P.L.
Deposit date:2007-08-02
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Molecular determinants of substrate specificity in plant 5'-methylthioadenosine nucleosidases.
J.Mol.Biol., 378, 2008
3H3R
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BU of 3h3r by Molmil
Crystal structure of the CERT START domain in complex with HPA-14
Descriptor: Goodpasture antigen binding protein, N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
Authors:Kudo, N, Wakatsuki, S, Kato, R.
Deposit date:2009-04-17
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the CERT START domain with inhibitors provide insights into the mechanism of ceramide transfer.
J.Mol.Biol., 396, 2010
3H51
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BU of 3h51 by Molmil
Crystal structure of Putative calcium/calmodulin dependent protein kinase II association domain (NP_636218.1) from XANTHOMONAS CAMPESTRIS at 1.70 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Putative calcium/calmodulin dependent protein kinase II association domain, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-21
Release date:2009-05-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Putative calcium/calmodulin dependent protein kinase II association domain (NP_636218.1) from XANTHOMONAS CAMPESTRIS at 1.70 A resolution
To be published
2JU4
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BU of 2ju4 by Molmil
NMR structure of the gamma subunit of cGMP phosphodiesterase
Descriptor: (3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit gamma
Authors:Song, J, Guo, L.W, Ruoho, A.E, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-08-14
Release date:2007-10-16
Last modified:2020-02-19
Method:SOLUTION NMR
Cite:Intrinsically disordered gamma-subunit of cGMP phosphodiesterase encodes functionally relevant transient secondary and tertiary structure.
Proc.Natl.Acad.Sci.USA, 105, 2008
4ITZ
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BU of 4itz by Molmil
Crystal structure of the FK506 binding domain of Plasmodium vivax FKBP35 in complex with a tetrapeptide substrate
Descriptor: 70 kDa peptidylprolyl isomerase, SULFATE ION, substrate peptide
Authors:Sreekanth, R, Yoon, H.S.
Deposit date:2013-01-19
Release date:2013-03-20
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax.
Eukaryot Cell, 12, 2013
3WDV
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BU of 3wdv by Molmil
The complex structure of PtLic16A with cellotetraose
Descriptor: Beta-1,3-1,4-glucanase, SULFATE ION, beta-D-glucopyranose, ...
Authors:Cheng, Y.S, Huang, C.H, Chen, C.C, Huang, T.Y, Ko, T.P, Huang, J.W, Wu, T.H, Liu, J.R, Guo, R.T.
Deposit date:2013-06-25
Release date:2014-07-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Structural and mutagenetic analyses of a 1,3-1,4-beta-glucanase from Paecilomyces thermophila
Biochim.Biophys.Acta, 1844, 2014
3H9P
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BU of 3h9p by Molmil
Crystal structure of putative triphosphoribosyl-dephospho-coA synthase from Archaeoglobus fulgidus
Descriptor: CHLORIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Chang, C, Wu, R, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-04-30
Release date:2009-05-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of putative triphosphoribosyl-dephospho-coA synthase from Archaeoglobus fulgidus
To be Published
3GP3
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BU of 3gp3 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 2-phosphoserine
Descriptor: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, PHOSPHITE ION, PHOSPHOSERINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-20
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3WIG
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BU of 3wig by Molmil
Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP
Descriptor: CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Lukacs, C.M, Janson, C, Schuck, V.
Deposit date:2013-09-12
Release date:2014-06-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors
Cancer Cell, 25, 2014
3H5X
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BU of 3h5x by Molmil
Crystal Structure of 2'-amino-2'-deoxy-cytidine-5'-triphosphate bound to Norovirus GII RNA polymerase
Descriptor: 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate), 5'-R(*UP*GP*CP*CP*CP*GP*GP*G)-3', 5'-R(P*UP*GP*CP*CP*CP*GP*GP*GP*C)-3', ...
Authors:Zamyatkin, D.F, Parra, F, Machin, A, Grochulski, P, Ng, K.K.S.
Deposit date:2009-04-22
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Binding of 2'-amino-2'-deoxycytidine-5'-triphosphate to norovirus polymerase induces rearrangement of the active site.
J.Mol.Biol., 390, 2009
4JUI
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BU of 4jui by Molmil
crystal structure of tannase from from Lactobacillus plantarum
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:Ren, B, Wu, M, Wang, Q, Peng, X, Wen, H, McKinstry, W.J, Chen, Q.
Deposit date:2013-03-24
Release date:2013-05-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of tannase from Lactobacillus plantarum.
J.Mol.Biol., 425, 2013
2R4T
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BU of 2r4t by Molmil
Crystal Structure of Wild-type E.coli GS in Complex with ADP and Glucose(wtGSc)
Descriptor: (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Sheng, F, Geiger, J.
Deposit date:2007-09-01
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.258 Å)
Cite:The crystal structures of the open and catalytically competent closed conformation of Escherichia coli glycogen synthase.
J.Biol.Chem., 284, 2009
1Z77
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BU of 1z77 by Molmil
Crystal structure of transcriptional regulator protein from Thermotoga maritima.
Descriptor: 1,2-ETHANEDIOL, transcriptional regulator (TetR family)
Authors:Koclega, K.D, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Kudritska, M, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-03-24
Release date:2005-05-10
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a transcriptional regulator TM1030 from Thermotoga maritima solved by an unusual MAD experiment.
J.Struct.Biol., 159, 2007

223790

数据于2024-08-14公开中

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