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6QE6
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BU of 6qe6 by Molmil
Structure of M. capricolum TrmK in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-04
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
6B87
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BU of 6b87 by Molmil
Crystal structure of transmembrane protein TMHC2_E
Descriptor: TMHC2_E
Authors:Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D.
Deposit date:2017-10-05
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.947 Å)
Cite:Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6BEW
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BU of 6bew by Molmil
Solution structure of de novo macrocycle design7.2
Descriptor: (DHI)P(DAS)(DGN)(DSN)(DGL)P
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BET
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BU of 6bet by Molmil
Solution structure of de novo macrocycle design12_ss
Descriptor: H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BF5
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BU of 6bf5 by Molmil
Solution structure of de novo macrocycle design7.3a
Descriptor: QDP(DPR)K(DTH)(DAS)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2018-01-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEO
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BU of 6beo by Molmil
Solution structure of de novo macrocycle design9.1
Descriptor: (DPR)PY(DHI)PKDL(DGN)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6F4D
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BU of 6f4d by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with PGH
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, PHOSPHATE ION, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6QE5
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BU of 6qe5 by Molmil
Structure of E.coli RlmJ in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Descriptor: Ribosomal RNA large subunit methyltransferase J, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-04
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
6BER
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BU of 6ber by Molmil
Solution structure of de novo macrocycle design10.2
Descriptor: E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEQ
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BU of 6beq by Molmil
Solution structure of de novo macrocycle design10.1
Descriptor: AAR(DVA)(DPR)R(DLE)(DTH)PE
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2018-01-10
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BE9
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BU of 6be9 by Molmil
Solution structure of de novo macrocycle design7.1
Descriptor: T(DLY)NDT(DSG)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B.
Deposit date:2017-10-24
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
6BEU
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BU of 6beu by Molmil
Solution structure of de novo macrocycle design14_ss
Descriptor: (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR)
Authors:Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D.
Deposit date:2017-10-25
Release date:2017-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
5FI5
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BU of 5fi5 by Molmil
HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: PHOSPHATE ION, Tetrahydroalstonine synthase, ZINC ION
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-22
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
4TNK
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BU of 4tnk by Molmil
RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution
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:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (5.2 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
3CMP
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BU of 3cmp by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant complexed with Ferric Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2008-03-24
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3M0C
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BU of 3m0c by Molmil
The X-ray Crystal Structure of PCSK9 in Complex with the LDL receptor
Descriptor: CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9
Authors:Spraggon, G, Hampton, E.N.
Deposit date:2010-03-02
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (7.01 Å)
Cite:The X-ray Crystal Structure of PCSK9 in Complex with the LDL receptor
To be Published
5F8V
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BU of 5f8v by Molmil
Crystal structure of PLP bound phosphoserine aminotransferase (PSAT) from Trichomonas vaginalis
Descriptor: Aminotransferase, class V family protein
Authors:Singh, R.K, Gourinath, S.
Deposit date:2015-12-09
Release date:2016-10-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural investigation and inhibitory response of halide on phosphoserine aminotransferase from Trichomonas vaginalis.
Biochim.Biophys.Acta, 1860, 2016
3QUA
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BU of 3qua by Molmil
Crystal structure of a putative uncharacterized protein and possible Molybdenum cofactor protein from Mycobacterium smegmatis
Descriptor: Putative uncharacterized protein, UNKNOWN LIGAND
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-02-23
Release date:2011-03-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6FJL
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BU of 6fjl by Molmil
Structure of IbpS from Dickeya dadantii
Descriptor: ABC-type Fe3+ transport system, periplasmic component, ACETATE ION, ...
Authors:Gueguen-Chaignon, V, Condemine, G, Terradot, L.
Deposit date:2018-01-22
Release date:2019-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.70000041 Å)
Cite:A secreted metal-binding protein protects necrotrophic phytopathogens from reactive oxygen species.
Nat Commun, 10, 2019
5FMM
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BU of 5fmm by Molmil
crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza a virus polymerase PB2 subunit bound to M7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CITRATE ANION, INFLUENZA A PB2 SUBUNIT
Authors:Thierry, E, Pflug, A, Hart, D, Cusack, S.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
8XF9
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BU of 8xf9 by Molmil
High-resolution structure of the siderophore periplasmic binding protein FtsB mutant Y137A from Streptococcus pyogenes
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
Deposit date:2023-12-13
Release date:2024-10-09
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Conserved binding mechanism for ligand promiscuity in the hydroxamate siderophore binding protein FtsB from Streptococcus pyogenes
Structure
6FF0
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BU of 6ff0 by Molmil
Ryegrass mottle virus serine protease domain fused with VPg domain
Descriptor: Serine protease domain fused with VPg domain
Authors:Kalnins, G.
Deposit date:2018-01-03
Release date:2019-04-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:VPg Impact on Ryegrass Mottle Virus Serine-like 3C Protease Proteolysis and Structure.
Int J Mol Sci, 24, 2023
8YNA
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BU of 8yna by Molmil
Cryo-EM structure of histamine H4 receptor in complex with immepip and Gi
Descriptor: 4-(1H-imidazol-5-ylmethyl)piperidine, Antibody fragment scFv16, CHOLESTEROL, ...
Authors:Zhang, X, Liu, G, Li, X, Gong, W.
Deposit date:2024-03-10
Release date:2024-10-09
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structural basis of ligand recognition and activation of the histamine receptor family
Nat Commun, 15, 2024
5IIP
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BU of 5iip by Molmil
Staphylococcus aureus OpuCA
Descriptor: Glycine betaine/carnitine/choline ABC transporter%2C ATP-binding protein%2C putative
Authors:Tosi, T, Campeotto, I, Freemont, P.S, Grundling, A.
Deposit date:2016-03-01
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The second messenger c-di-AMP inhibits the osmolyte uptake system OpuC in Staphylococcus aureus.
Sci.Signal., 9, 2016
6N16
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BU of 6n16 by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-b.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide (512-519), antibody 0PV-b.01 Fab heavy chain, antibody 0PV-b.01 Fab light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-11-08
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019

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數據於2024-10-09公開中

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