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4XYY
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BU of 4xyy by Molmil
Hen Egg-White Lysozyme (HEWL) complexed with Zr(IV)-substituted Keggin-type polyoxometalate
Descriptor: DIMETHYL SULFOXIDE, ETHANE-1,2-DIAMINE, Lysozyme C, ...
Authors:De Zitter, E, Van Meervelt, L.
Deposit date:2015-02-03
Release date:2015-07-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural Characterization of the Complex between Hen Egg-White Lysozyme and Zr(IV) -Substituted Keggin Polyoxometalate as Artificial Protease.
Chemistry, 21, 2015
6XWK
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BU of 6xwk by Molmil
Crystal structure of Phormidium rubidum phycocyanin
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ...
Authors:Sonani, R.R, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E.
Deposit date:2020-01-23
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Revisiting high-resolution crystal structure of Phormidium rubidum phycocyanin.
Photosyn. Res., 144, 2020
4XZW
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BU of 4xzw by Molmil
Endo-glucanase chimera C10
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Lee, C.C, Chang, C.J, Ho, T.H.D, Chao, Y.C, Wang, A.H.J.
Deposit date:2015-02-05
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Endo-glucanase chimera C10
To Be Published
7LOU
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BU of 7lou by Molmil
Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glucosyltransferase TcdB, ...
Authors:Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2021-02-10
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Nat Commun, 12, 2021
8QDB
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BU of 8qdb by Molmil
Wdyg1p Ser256DHA (PSF)
Descriptor: 1,2-ETHANEDIOL, Yellowish-green 1-like protein
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QBI
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BU of 8qbi by Molmil
AntI in closed state
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ...
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-24
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
8QDA
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BU of 8qda by Molmil
Wdyg1p Ser256DHA (PMSF)
Descriptor: 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-28
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
5K6O
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BU of 5k6o by Molmil
Structure of a GH3 b-glucosidase from cow rumen metagenome in complex with galactose
Descriptor: 1,2-ETHANEDIOL, B-GLUCOSIDASE, SULFATE ION, ...
Authors:Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
8EQN
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BU of 8eqn by Molmil
BG505 UFO-E2p-L4P nanoparticle reconstructed by focused refinement with a mask around the nanoparticle core
Descriptor: BG505 UFO-E2p-L4P
Authors:Antanasijevic, A, Zhang, Y.N, Zhu, J, Ward, A.B.
Deposit date:2022-10-08
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Single-component multilayered self-assembling protein nanoparticles presenting glycan-trimmed uncleaved prefusion optimized envelope trimmers as HIV-1 vaccine candidates.
Nat Commun, 14, 2023
1JTJ
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BU of 1jtj by Molmil
Solution structure of HIV-1Lai mutated SL1 hairpin
Descriptor: HIV-1Lai SL1
Authors:Kieken, F, Arnoult, E, Barbault, F, Paquet, F, Huynh-Dinh, T, Paoletti, J, Genest, D, Lancelot, G.
Deposit date:2001-08-21
Release date:2002-12-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:HIV-1(Lai) genomic RNA: combined used of NMR and molecular dynamics simulation for studying the structure and internal dynamics of a mutated SL1 hairpin.
EUR.BIOPHYS.J., 31, 2002
403D
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BU of 403d by Molmil
5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(IGU)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Robinson, H, Gao, Y.-G, Bauer, C, Roberts, C, Switzer, C, Wang, A.H.-J.
Deposit date:1998-06-10
Release date:1998-07-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:2'-Deoxyisoguanosine adopts more than one tautomer to form base pairs with thymidine observed by high-resolution crystal structure analysis.
Biochemistry, 37, 1998
9RSA
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BU of 9rsa by Molmil
CRYSTAL STRUCTURE OF TWO COVALENT NUCLEOSIDE DERIVATIVES OF RIBONUCLEASE A
Descriptor: 3'-DEOXY-3'-ACETAMIDO-URIDINE, RIBONUCLEASE A
Authors:Nachman, J, Wlodawer, A.
Deposit date:1989-08-28
Release date:1991-04-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Biochemistry, 29, 1990
6NM7
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BU of 6nm7 by Molmil
PD-L1 IgV domain bound to fragment
Descriptor: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, Programmed cell death 1 ligand 1
Authors:Perry, E, Zhao, B.
Deposit date:2019-01-10
Release date:2019-02-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
9RYG
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BU of 9ryg by Molmil
Bifunctional Non-haem Iron Oxygenase NovR Involved in Novobiocin Biosynthesis with product bound
Descriptor: 1,2-ETHANEDIOL, 3-(3-methylbut-2-enyl)-4-oxidanyl-benzoic acid, Decarboxylase NovR, ...
Authors:Keller, S, Lawson, D.M.
Deposit date:2025-07-15
Release date:2025-07-23
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Bifunctional Non-haem Iron Oxygenase NovR Involved in Novobiocin Biosynthesis with product bound
To Be Published
9MG6
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BU of 9mg6 by Molmil
Structure of Saccharomyces cerevisiae mRNA cap (guanine-N7) methyltransferase variant, Abd1-K163R-K311R-F387Y-Y416F, in complex with sinefungin and GTP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, SINEFUNGIN, ...
Authors:Nilson, D.J, Ghosh, A.
Deposit date:2024-12-10
Release date:2025-07-09
Last modified:2025-08-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for sensitivity and acquired resistance of fungal cap guanine-N7 methyltransferases to the antifungal antibiotic sinefungin.
Nucleic Acids Res., 53, 2025
9QYT
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BU of 9qyt by Molmil
Crystal structure of leaf branch compost cutinase variant ICCG L50Y T110E
Descriptor: 1,2-ETHANEDIOL, Leaf-branch compost cutinase, SODIUM ION
Authors:Bischoff, D, Walla, B, Janowski, R, Niessing, D, Weuster-Botz, D.
Deposit date:2025-04-20
Release date:2025-07-02
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Application of a Rational Crystal Contact Engineering Strategy on a Poly(ethylene terephthalate)-Degrading Cutinase.
Bioengineering (Basel), 12, 2025
9MFP
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BU of 9mfp by Molmil
Cat DHX9 in Complex with Compound 1 and ADP
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-N-[3-(methanesulfonamido)phenyl]-5-methyl-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lockbaum, G.J, Lee, Y.-T, Sickmier, E.A, Boriack-Sjodin, P.A, Grigoriu, S.
Deposit date:2024-12-10
Release date:2025-05-07
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of ATX968: An Orally Available Allosteric Inhibitor of DHX9.
J.Med.Chem., 68, 2025
8ERE
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BU of 8ere by Molmil
HTLV-1 capsid protein N-terminal domain triclinic crystal form
Descriptor: capsid protein p24
Authors:Yu, R.J, Li, N, Jacques, D.A.
Deposit date:2022-10-11
Release date:2023-10-18
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:HTLV-1 capsid protein N-terminal domain triclinic crystal form
To Be Published
9NAW
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BU of 9naw by Molmil
H-1 Parvovirus VLP
Descriptor: Major capsid protein
Authors:Busuttil, K.B, Bennett, A.B, McKenna, R.
Deposit date:2025-02-13
Release date:2025-03-19
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Mapping the Sialic Acid Binding Sites of LuIII and H-1 Parvovirus
To Be Published
9VCK
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BU of 9vck by Molmil
Cryo-EM structure of SARS-CoV-2 nsp10/nsp14:RNA:SMP complex
Descriptor: CALCIUM ION, Guanine-N7 methyltransferase nsp14, Non-structural protein 10, ...
Authors:Wang, J, Lou, Z, Liu, D.
Deposit date:2025-06-06
Release date:2025-07-16
Method:ELECTRON MICROSCOPY (4.22 Å)
Cite:Structural Basis and Rational Design of Nucleotide Analogue Inhibitor Evading the SARS-CoV-2 Proofreading Enzyme.
J.Am.Chem.Soc., 147, 2025
9V7W
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BU of 9v7w by Molmil
SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 3
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhang, N, Hao, Q.
Deposit date:2025-05-28
Release date:2025-09-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of SIRT2 pre-catalysis NAD+ binding dynamics and mechanism
Rsc Chem Biol, 2025
9VCL
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BU of 9vcl by Molmil
Cryo-EM structure of SARS-CoV-2 nsp10/nsp14:RNA:ATMP complex
Descriptor: CALCIUM ION, Guanine-N7 methyltransferase nsp14, Non-structural protein 10, ...
Authors:Wang, J, Lou, Z, Liu, D.
Deposit date:2025-06-06
Release date:2025-07-16
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural Basis and Rational Design of Nucleotide Analogue Inhibitor Evading the SARS-CoV-2 Proofreading Enzyme.
J.Am.Chem.Soc., 147, 2025
9UJ2
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BU of 9uj2 by Molmil
14-3-3 zeta chimera with the S202R peptide of SARS-CoV-2 N (residues 200-213)
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta,Peptide from Nucleoprotein, DI(HYDROXYETHYL)ETHER
Authors:Boyko, K.M, Matyuta, I.O, Minyaev, M.E, Perfilova, K.V, Sluchanko, N.N.
Deposit date:2025-04-16
Release date:2025-05-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structure reveals enhanced 14-3-3 binding by a mutant SARS-CoV-2 nucleoprotein variant with improved replicative fitness.
Biochem.Biophys.Res.Commun., 767, 2025
9QYU
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BU of 9qyu by Molmil
Crystal structure of leaf branch compost cutinase quintuple variant ICCG L50Y
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Leaf-branch compost cutinase
Authors:Bischoff, D, Walla, B, Dietrich, A.-M, Janowski, R, Niessing, D, Weuster-Botz, D.
Deposit date:2025-04-21
Release date:2025-07-02
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Application of a Rational Crystal Contact Engineering Strategy on a Poly(ethylene terephthalate)-Degrading Cutinase.
Bioengineering (Basel), 12, 2025
9UET
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BU of 9uet by Molmil
Cryo-EM structure of human choline-phosphotransferase 1
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Cholinephosphotransferase 1, MAGNESIUM ION
Authors:He, Y.L, Qian, H.W.
Deposit date:2025-04-09
Release date:2025-06-18
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Cryo-EM structure of human choline-phosphotransferase 1
To Be Published

242842

数据于2025-10-08公开中

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