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8OV9
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BU of 8ov9 by Molmil
Crystal structure of Ene-reductase 1 from black poplar mushroom
Descriptor: Ene-reductase 1, GLYCEROL
Authors:Korf, L, Essen, L.-O, Karrer, D, Ruehl, M.
Deposit date:2023-04-25
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Shifting the substrate scope of an ene/yne-reductase by loop engineering
To Be Published
7LMP
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BU of 7lmp by Molmil
Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 36 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-8-(1H-imidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione]
Descriptor: 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione, JTO light chain, PHOSPHATE ION
Authors:Yan, N.L, Wilson, I.A, Kelly, J.W.
Deposit date:2021-02-05
Release date:2021-05-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
5NQR
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BU of 5nqr by Molmil
Potent inhibitors of NUDT5 silence hormone signaling in breast cancer
Descriptor: 8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione, ADP-sugar pyrophosphatase
Authors:Carter, M, Stenmark, P.
Deposit date:2017-04-21
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells.
Nat Commun, 9, 2018
8YKU
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BU of 8yku by Molmil
PaThiL in complex with AMP-PNP and TMP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Lin, J.Q, Chung, Z, Lescar, J.
Deposit date:2024-03-05
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:ThiL in complex with AMP-PNP
To Be Published
6RC4
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BU of 6rc4 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: 2-(6-azanyl-8-methyl-purin-9-yl)ethanol, CITRIC ACID, NAD kinase 1
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
6FGH
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BU of 6fgh by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1
Descriptor: 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A.
Deposit date:2018-01-10
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
7YJK
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BU of 7yjk by Molmil
Cryo-EM structure of the dimeric atSPT-ORM1 complex
Descriptor: Long chain base biosynthesis protein 1, Long chain base biosynthesis protein 2a, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, ...
Authors:Xie, T, Liu, P, Gong, X.
Deposit date:2022-07-20
Release date:2023-04-05
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of sphingolipid homeostasis revealed by structural analysis of Arabidopsis SPT-ORM1 complex.
Sci Adv, 9, 2023
9BFP
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BU of 9bfp by Molmil
Cryo-EM structure of Sevenless extracellular domain (monomer)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein sevenless
Authors:Cerutti, G, Shapiro, L.
Deposit date:2024-04-18
Release date:2025-01-29
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Structures and pH-dependent dimerization of the sevenless receptor tyrosine kinase.
Mol.Cell, 84, 2024
4ZXI
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BU of 4zxi by Molmil
Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine
Descriptor: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 4'-PHOSPHOPANTETHEINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Drake, E.J, Miller, B.R, Allen, C.L, Gulick, A.M.
Deposit date:2015-05-20
Release date:2015-12-30
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of two distinct conformations of holo-non-ribosomal peptide synthetases.
Nature, 529, 2016
7YJM
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BU of 7yjm by Molmil
Cryo-EM structure of the monomeric atSPT-ORM1 complex
Descriptor: Long chain base biosynthesis protein 2a, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, ORMDL family protein, ...
Authors:Xie, T, Liu, P, Gong, X.
Deposit date:2022-07-20
Release date:2023-04-05
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of sphingolipid homeostasis revealed by structural analysis of Arabidopsis SPT-ORM1 complex.
Sci Adv, 9, 2023
1GKQ
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BU of 1gkq by Molmil
D-Hydantoinase (Dihydropyrimidinase) from Thermus sp. in space group P212121
Descriptor: HYDANTOINASE, ZINC ION
Authors:Abendroth, J, Niefind, K, Schomburg, D.
Deposit date:2001-08-20
Release date:2002-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-Ray Structure of a Dihydropyrimidinase from Thermus Sp. At 1.3 A Resolution
J.Mol.Biol., 320, 2002
6XJP
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BU of 6xjp by Molmil
Crystal Structure of KPT-185 bound to CRM1 (537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
4ZYQ
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BU of 4zyq by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10s
Descriptor: CARBONATE ION, N-{(1R)-2-(hydroxyamino)-1-[3'-(N'-hydroxycarbamimidoyl)biphenyl-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, PENTAETHYLENE GLYCOL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-22
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
8OYU
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BU of 8oyu by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '2 up 1 down' RBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-05-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
1NCQ
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BU of 1ncq by Molmil
The structure of HRV14 when complexed with pleconaril, an antiviral compound
Descriptor: 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, COAT PROTEIN VP1, COAT PROTEIN VP2, ...
Authors:Zhang, Y, Simpson, A.A, Bator, C.M, Chakravarty, S, Pevear, D.C, Skochko, G.A, Tull, T.M, Diana, G, Rossmann, M.G.
Deposit date:2002-12-05
Release date:2003-12-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and virological studies of the stages of virus replication that are affected by antirhinovirus compounds
J.Virol., 78, 2004
3GSK
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BU of 3gsk by Molmil
A Bulky Rhodium Complex Bound to an Adenosine-Adenosine DNA Mismatch
Descriptor: 5'-D(*CP*GP*GP*AP*AP*AP*TP*TP*AP*CP*CP*G)-3', CACODYLATE ION, bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
Authors:Zeglis, B.M, Pierre, V.C, Kaiser, J.T, Barton, J.K.
Deposit date:2009-03-27
Release date:2009-05-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A bulky rhodium complex bound to an adenosine-adenosine DNA mismatch: general architecture of the metalloinsertion binding mode
Biochemistry, 48, 2009
6XL1
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BU of 6xl1 by Molmil
crystal structure of cA4-activated Card1(D294N)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Card1, MANGANESE (II) ION, ...
Authors:Rostol, J, Xie, W, Patel, D.J, Marraffini, L.
Deposit date:2020-06-27
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Card1 nuclease provides defence during type III CRISPR immunity.
Nature, 590, 2021
8SOI
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BU of 8soi by Molmil
Structure of human ULK1 complex core (2:1:1 stoichiometry)
Descriptor: Autophagy-related protein 13, RB1-inducible coiled-coil protein 1, Serine/threonine-protein kinase ULK1
Authors:Chen, M, Hurley, J.H.
Deposit date:2023-04-28
Release date:2023-06-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
6OHE
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BU of 6ohe by Molmil
Alpha-L-fucosidase AlfC D200A in complex with Fuca(1,6)GlcNAc
Descriptor: AlfC, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-04-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
5YNS
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BU of 5yns by Molmil
Crystal structure of PETase R280A mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Joo, S, Kim, K.-J.
Deposit date:2017-10-25
Release date:2018-02-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural insight into molecular mechanism of poly(ethylene terephthalate) degradation.
Nat Commun, 9, 2018
4RUL
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BU of 4rul by Molmil
Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA
Descriptor: DNA topoisomerase 1, GLYCEROL, SULFATE ION, ...
Authors:Tan, K, Chen, B, Tse-Dinh, Y.C.
Deposit date:2014-11-20
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for suppression of hypernegative DNA supercoiling by E. coli topoisomerase I.
Nucleic Acids Res., 43, 2015
4ZXG
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BU of 4zxg by Molmil
Ligandin binding site of PfGST
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Glutathione S-transferase, ...
Authors:Perbandt, M, Eberle, R, Betzel, C.
Deposit date:2015-05-20
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution structures of Plasmodium falciparum GST complexes provide novel insights into the dimer-tetramer transition and a novel ligand-binding site.
J.Struct.Biol., 191, 2015
8BQK
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BU of 8bqk by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 22 min
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J.
Deposit date:2022-11-21
Release date:2023-01-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Int J Mol Sci, 24, 2022
4ZS8
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BU of 4zs8 by Molmil
Crystal structure of ligand-free, full length DasR
Descriptor: 1,2-ETHANEDIOL, HTH-type transcriptional repressor DasR
Authors:Fillenberg, S.B, Muller, Y.A.
Deposit date:2015-05-13
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
8BQJ
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BU of 8bqj by Molmil
W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 5 min
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J.
Deposit date:2022-11-21
Release date:2023-01-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.107 Å)
Cite:Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Int J Mol Sci, 24, 2022

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数据于2025-11-12公开中

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