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7LX3
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BU of 7lx3 by Molmil
Cryo-EM structure of EDC-crosslinked ConSOSL.UFO.664 (ConS-EDC) in complex with bNAb PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Env glycoprotein gp160, ...
Authors:Martin, G.M, Ward, A.B, Sattentau, Q.J.
Deposit date:2021-03-03
Release date:2022-03-09
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
2VUO
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BU of 2vuo by Molmil
Crystal structure of the rabbit IgG Fc fragment
Descriptor: AZIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Girardi, E, Holdom, M.D, Davies, A.M, Sutton, B.J, Beavil, A.J.
Deposit date:2008-05-27
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of Rabbit Igg-Fc.
Biochem.J., 417, 2009
8BRP
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BU of 8brp by Molmil
Peptide Arginase OspR from the cyanobacterium Kamptonema sp.
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Mordhorst, S, Badmann, T, Boesch, N.M, Morinaka, B.I, Rach, H, Piel, J, Groll, M, Vagstadt, A.L.
Deposit date:2022-11-23
Release date:2023-03-01
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Insights into Post-Translational Arginine-to-Ornithine Peptide Modifications by an Atypical Arginase.
Acs Chem.Biol., 18, 2023
6G2S
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BU of 6g2s by Molmil
Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside
Descriptor: (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin
Authors:Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B.
Deposit date:2018-03-23
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
8B5L
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BU of 8b5l by Molmil
Cryo-EM structure of ribosome-Sec61-TRAP (TRanslocon Associated Protein) translocon complex
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Pauwels, E, Shewakramani, N.R, De Wijngaert, B, Vermeire, K, Das, K.
Deposit date:2022-09-23
Release date:2023-03-01
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural insights into TRAP association with ribosome-Sec61 complex and translocon inhibition by a CADA derivative.
Sci Adv, 9, 2023
8B6C
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BU of 8b6c by Molmil
Cryo-EM structure of ribosome-Sec61 in complex with cyclotriazadisulfonamide derivative CK147
Descriptor: 28S rRNA, 4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline, 5.8S rRNA, ...
Authors:Pauwels, E, Shewakramani, N.R, De Wijngaert, B, Vermeire, K, Das, K.
Deposit date:2022-09-26
Release date:2023-02-22
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural insights into TRAP association with ribosome-Sec61 complex and translocon inhibition by a CADA derivative.
Sci Adv, 9, 2023
8BCH
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BU of 8bch by Molmil
Human Brr2 Helicase Region in complex with Sulfaguanidine
Descriptor: 1-(4-aminophenyl)sulfonylguanidine, U5 small nuclear ribonucleoprotein 200 kDa helicase
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
5LV1
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BU of 5lv1 by Molmil
2.12 A resolution structure of PtxB from Prochlorococcus marinus (MIT 9301) in complex with phosphite
Descriptor: PtxB, oxidanylphosphinate
Authors:Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
Deposit date:2016-09-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
6NZ9
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BU of 6nz9 by Molmil
Crystal structure of E. coli fumarase C bound to citrate at 1.53 angstrom resolution
Descriptor: CITRIC ACID, Fumarate hydratase class II
Authors:Stuttgen, G.M, May, J.F, Bhattcharyya, B, Weaver, T.M.
Deposit date:2019-02-13
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.528 Å)
Cite:Closed fumarase C active-site structures reveal SS Loop residue contribution in catalysis.
Febs Lett., 594, 2020
6S4G
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BU of 6s4g by Molmil
Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PMP
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Ruggieri, F, Campillo Brocal, J.C, Humble, M.S, Walse, B, Logan, D.T, Berglund, P.
Deposit date:2019-06-27
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase.
Sci Rep, 9, 2019
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-10-03
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25000381 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
6NML
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BU of 6nml by Molmil
Ternary structure of the T130K mutant of ANT-4'' with Neomycin and AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
1BIU
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BU of 1biu by Molmil
HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++
Descriptor: HIV-1 INTEGRASE, MAGNESIUM ION
Authors:Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
Deposit date:1998-06-19
Release date:1998-08-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
6WT6
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BU of 6wt6 by Molmil
Structure of a metazoan TIR-STING receptor from C. gigas
Descriptor: Metazoan TIR-STING fusion
Authors:Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J.
Deposit date:2020-05-01
Release date:2020-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
6WU1
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BU of 6wu1 by Molmil
Structure of apo LaINDY
Descriptor: DASS family sodium-coupled anion symporter, DECANE, HEXANE, ...
Authors:Sauer, D.B, Marden, J.J, Cocco, N.C, Song, J.M, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2020-05-04
Release date:2020-09-16
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
6NQT
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BU of 6nqt by Molmil
GalNac-T2 soaked with UDP-sugar
Descriptor: MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
Authors:Fernandez, D, Bertozzi, C.R, Schumann, B, Agbay, A.
Deposit date:2019-01-21
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Bump-and-Hole Engineering Identifies Specific Substrates of Glycosyltransferases in Living Cells.
Mol.Cell, 78, 2020
6TOV
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BU of 6tov by Molmil
Crystal Structure of Teicoplanin Aglycone
Descriptor: DIMETHYL SULFOXIDE, Teicoplanin Aglycone
Authors:Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S.
Deposit date:2019-12-12
Release date:2020-01-15
Last modified:2022-01-19
Method:X-RAY DIFFRACTION (0.767 Å)
Cite:Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase
Separations, 2022
5M2Q
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BU of 5m2q by Molmil
Structure of cobinamide-bound BtuF mutant W66F, the periplasmic vitamin B12 binding protein in E.coli
Descriptor: COB(II)INAMIDE, CYANIDE ION, GLYCEROL, ...
Authors:Mireku, S.A, Ruetz, M, Zhou, T, Korkhov, V.M, Kraeutler, B, Locher, K.P.
Deposit date:2016-10-13
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Change of a Tryptophan Residue in BtuF Facilitates Binding and Transport of Cobinamide by the Vitamin B12 Transporter BtuCD-F.
Sci Rep, 7, 2017
8UCZ
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BU of 8ucz by Molmil
Sterile Alpha Motif (SAM) domain from Tric1 from Arabidopsis thaliana - D235A mutant
Descriptor: CHLORIDE ION, Chloroplastic import inner membrane translocase subunit HP30-1
Authors:Olasz, B, Vrielink, A, Smithers, L.
Deposit date:2023-09-27
Release date:2024-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural analysis of the SAM domain of the Arabidopsis mitochondrial tRNA import receptor.
J.Biol.Chem., 300, 2024
6D3E
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BU of 6d3e by Molmil
PPARg LBD in Complex with SR1988
Descriptor: 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma
Authors:Frkic, R.L, Bruning, J.B.
Deposit date:2018-04-15
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
6TTA
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BU of 6tta by Molmil
Haddock model of NDM-1/quercetin complex
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Metallo beta lactamase NDM-1, ZINC ION
Authors:Riviere, G, Oueslati, S, Gayral, M, Crechet, J.B, Nhiri, N, Jacquet, E, Cintrat, J.C, Giraud, F, van Heijenoort, C, Lescop, E, Pethe, S, Iorga, B.I, Naas, T, Guittet, E, Morellet, N.
Deposit date:2019-12-26
Release date:2021-01-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Characterization of the Influence of Zinc(II) Ions on the Structural and Dynamic Behavior of the New Delhi Metallo-beta-Lactamase-1 and on the Binding with Flavonols as Inhibitors.
Acs Omega, 5, 2020
8BVL
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BU of 8bvl by Molmil
Crystal structure of the IBR-RING2 domain of HOIL-1
Descriptor: RanBP-type and C3HC4-type zinc finger-containing protein 1, ZINC ION
Authors:Stieglitz, B, Koliopoulos, M.G, Rittinger, K.
Deposit date:2022-12-04
Release date:2023-01-18
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for ubiquitylation by HOIL-1.
Front Mol Biosci, 9, 2022
1KC8
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BU of 1kc8 by Molmil
Co-crystal Structure of Blasticidin S Bound to the 50S Ribosomal Subunit
Descriptor: 23S RRNA, 5S RRNA, BLASTICIDIN S, ...
Authors:Hansen, J.L, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A.
Deposit date:2001-11-07
Release date:2003-07-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structures of Five Antibiotics Bound at the Peptidyl Transferase Center of the Large Ribosomal Subunit
J.Mol.Biol., 330, 2003
8B64
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BU of 8b64 by Molmil
Cryo-EM structure of RC-LH1-PufX photosynthetic core complex from Rba. capsulatus
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Bracun, L, Yamagata, A, Shirouzu, M, Liu, L.N.
Deposit date:2022-09-26
Release date:2023-02-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.589 Å)
Cite:Cryo-EM structure of a monomeric RC-LH1-PufX supercomplex with high-carotenoid content from Rhodobacter capsulatus.
Structure, 31, 2023
6HU3
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BU of 6hu3 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor
Descriptor: 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Shaik, T.B, Marek, M, Romier, C.
Deposit date:2018-10-05
Release date:2018-10-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018

224004

数据于2024-08-21公开中

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