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5KAW
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BU of 5kaw by Molmil
The structure of SAV2435 bound to TETRAPHENYLPHOSPHONIUM and RHODAMINE 6G
Descriptor: GLYCEROL, RHODAMINE 6G, SA2223 protein, ...
Authors:Moreno, A, Wade, H.
Deposit date:2016-06-02
Release date:2016-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
6UZT
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BU of 6uzt by Molmil
Crystal Structure of RPTP alpha
Descriptor: Receptor-type tyrosine-protein phosphatase alpha
Authors:Santelli, E, Wen, Y, Yang, S, Svensson, M.N.D, Stanford, S.M, Bottini, N.
Deposit date:2019-11-15
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:RPTP alpha phosphatase activity is allosterically regulated by the membrane-distal catalytic domain.
J.Biol.Chem., 295, 2020
5K7B
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BU of 5k7b by Molmil
Beclin 2 CCD homodimer
Descriptor: Beclin-2
Authors:Su, M, Sinha, S.
Deposit date:2016-05-25
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:BECN2 interacts with ATG14 through a metastable coiled-coil to mediate autophagy.
Protein Sci., 26, 2017
4YKL
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BU of 4ykl by Molmil
Hnt3 in complex with DNA and guanosine
Descriptor: Aprataxin-like protein, CHLORIDE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Jacewicz, A, Chauleau, M, Shuman, S.
Deposit date:2015-03-04
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:DNA3'pp5'G de-capping activity of aprataxin: effect of cap nucleoside analogs and structural basis for guanosine recognition.
Nucleic Acids Res., 43, 2015
6V0Y
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BU of 6v0y by Molmil
immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, GLYCEROL, ...
Authors:Lim, J.J, Rossjohn, J.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
8ENA
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BU of 8ena by Molmil
Thaumatin native-SAD structure determined at 5 keV with a helium environmet
Descriptor: Thaumatin-1
Authors:Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q.
Deposit date:2022-09-29
Release date:2022-11-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
6UVX
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BU of 6uvx by Molmil
The crystal structure of FbiA from Mycobacterium Smegmatis, Apo state
Descriptor: CALCIUM ION, Phosphoenolpyruvate transferase
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
5KC1
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BU of 5kc1 by Molmil
Structure of the C-terminal dimerization domain of Atg38
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, Autophagy-related protein 38, ...
Authors:Ohashi, Y, Soler, N, Garcia-Ortegon, M, Zhang, L, Perisic, O, Masson, G.R, Johnson, C.M, Williams, R.J.
Deposit date:2016-06-04
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of Atg38 and NRBF2, a fifth subunit of the autophagic Vps34/PIK3C3 complex.
Autophagy, 12, 2016
6UW5
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BU of 6uw5 by Molmil
The crystal structure of FbiA from Mycobacterium smegmatis, GDP and Fo bound form
Descriptor: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
8EDQ
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BU of 8edq by Molmil
E. coli pyruvate kinase (PykF) I264F
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-09-05
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
4YMH
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BU of 4ymh by Molmil
Crystal structure of SAH-bound Podospora anserina methyltransferase PaMTH1
Descriptor: DI(HYDROXYETHYL)ETHER, Putative SAM-dependent O-methyltranferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kudlinzki, D, Linhard, V.L, Chatterjee, D, Saxena, K, Sreeramulu, S, Schwalbe, H.
Deposit date:2015-03-06
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina.
J.Biol.Chem., 290, 2015
8EN9
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BU of 8en9 by Molmil
TehA native-SAD structure determined at 5 keV with a helium environment
Descriptor: CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ...
Authors:Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q.
Deposit date:2022-09-29
Release date:2022-11-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
8HH0
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BU of 8hh0 by Molmil
Peroxiredoxin from Thermococcus kodakaraensis (TkPrx) F42C/C46S/C205S/C211S mutant modified with 2-(bromoacetyl)naphthalene (Naph@TkPrx*F42C)
Descriptor: 1-naphthalen-2-ylethanone, Peroxiredoxin
Authors:Himiyama, T, Hamaguchi, T, Yonekura, K, Nakamura, T.
Deposit date:2022-11-16
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Unnaturally Distorted Hexagonal Protein Ring Alternatingly Reorganized from Two Distinct Chemically Modified Proteins.
Bioconjug.Chem., 2023
8EH2
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BU of 8eh2 by Molmil
Short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii
Descriptor: SDR family oxidoreductase
Authors:Shaw, K.
Deposit date:2022-09-13
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii
To Be Published
5KAU
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BU of 5kau by Molmil
The structure of SAV2435 bound to RHODAMINE 6G
Descriptor: GLYCEROL, RHODAMINE 6G, SA2223 protein
Authors:Moreno, A, Wade, H.
Deposit date:2016-06-02
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
6V2O
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BU of 6v2o by Molmil
HLA-B*57:01 presenting the peptide ASLNLPAVSW
Descriptor: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Maclachlan, B, Rossjohn, J, Vivian, J.P.
Deposit date:2019-11-25
Release date:2020-05-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
5KDZ
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BU of 5kdz by Molmil
The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Coleman, T, Bruning, J.B, Bell, S.G.
Deposit date:2016-06-08
Release date:2018-02-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.424 Å)
Cite:The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate
To Be Published
4YRG
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BU of 4yrg by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (6-bromopyridin-2-yl)methanol (Chem 149)
Descriptor: (6-bromopyridin-2-yl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRQ
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BU of 4yrq by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 6-amino-2H-chromen-2-one (Chem 744)
Descriptor: 1,2-ETHANEDIOL, 6-amino-2H-chromen-2-one, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
6V15
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BU of 6v15 by Molmil
immune receptor complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen beta 72,74cit69-81, G08 TCR alpha chain, ...
Authors:Lim, J.J, Rossjohn, J.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The shared susceptibility epitope of HLA-DR4 binds citrullinated self-antigens and the TCR.
Sci Immunol, 6, 2021
4YOS
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BU of 4yos by Molmil
p107 pocket domain complexed with LIN52 peptide
Descriptor: 1,2-ETHANEDIOL, Protein lin-52 homolog, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, ...
Authors:Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M.
Deposit date:2015-03-12
Release date:2015-05-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
6V5N
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BU of 6v5n by Molmil
EGFR(T790M/V948R) in complex with LN2084
Descriptor: 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol, CHLORIDE ION, Epidermal growth factor receptor
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2019-12-04
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
5JOD
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BU of 5jod by Molmil
Structure of proplasmepsin IV from Plasmodium falciparum
Descriptor: GLYCEROL, Proplasmepsin IV
Authors:Recacha, R, Akopjana, I, Tars, K, Jaudzems, K.
Deposit date:2016-05-02
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Crystal structure of Plasmodium falciparum proplasmepsin IV: the plasticity of proplasmepsins.
Acta Crystallogr.,Sect.F, 72, 2016
6V80
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BU of 6v80 by Molmil
Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020

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數據於2024-10-30公開中

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