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3IDJ
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BU of 3idj by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 Fab' fragment in complex with gp41 Peptide analog ELD(Orn)WAS
Descriptor: 2F5 Fab heavy chain, 2F5 Fab light chain, gp41 MPER peptide analog
Authors:Julien, J.-P, Bryson, S, Pai, E.F.
Deposit date:2009-07-21
Release date:2010-02-02
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
5KO5
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BU of 5ko5 by Molmil
Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase from Schistosoma mansoni in complex with cytosine
Descriptor: 1,2-ETHANEDIOL, 6-AMINOPYRIMIDIN-2(1H)-ONE, Purine nucleoside phosphorylase
Authors:Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M.
Deposit date:2016-06-29
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
8P2F
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BU of 8p2f by Molmil
Staphylococcus aureus 70S ribosome with elongation factor G locked with fusidic acid cyclopentane in post-translocational state
Descriptor: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid, ...
Authors:Gonzalez-Lopez, A, Selmer, M.
Deposit date:2023-05-16
Release date:2024-05-01
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (2.44 Å)
Cite:Structures of the Staphylococcus aureus ribosome inhibited by fusidic acid and fusidic acid cyclopentane.
Sci Rep, 14, 2024
7RU6
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BU of 7ru6 by Molmil
Cryo-EM structure of the HIV-1 restriction factor human SERINC3
Descriptor: Serine incorporator 3, SiA
Authors:Purdy, M.D, Leonhardt, S.A, Yeager, M.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry.
Nat Commun, 14, 2023
7BMO
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BU of 7bmo by Molmil
HEWL in cesium chloride (0.25 M CsCl in protein buffer)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Hen egg white lysozyme, ...
Authors:Koelmel, W, Kuper, J, Kisker, C.
Deposit date:2021-01-20
Release date:2021-10-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
8DS3
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BU of 8ds3 by Molmil
LRRC8A:C conformation 1 (round)
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-21
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
8B5A
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BU of 8b5a by Molmil
Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri)
Descriptor: Bromodomain-containing protein 3, H4K20ApmTri
Authors:Braun, M.B, Bartlick, N, Stehle, T.
Deposit date:2022-09-22
Release date:2023-01-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
5G1W
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BU of 5g1w by Molmil
Apo Structure of Linalool Dehydratase-Isomerase
Descriptor: 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID
Authors:Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G.
Deposit date:2016-03-30
Release date:2017-01-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and functional insights into asymmetric enzymatic dehydration of alkenols.
Nat. Chem. Biol., 13, 2017
7V91
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BU of 7v91 by Molmil
Crystal Structure of the Catalytic Domain of a Family GH19 Chitinase from Gazyumaru, Ficus microcarpa
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Kozome, D, Kubota, T, Ishikawa, K.
Deposit date:2021-08-24
Release date:2022-04-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Analysis and Construction of a Thermostable Antifungal Chitinase.
Appl.Environ.Microbiol., 88, 2022
1Q9A
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BU of 1q9a by Molmil
Crystal structure of the sarcin/ricin domain from E.coli 23S rRNA at 1.04 resolution
Descriptor: Sarcin/ricin 23S rRNA
Authors:Correll, C.C, Beneken, J, Plantinga, M.J, Lubbers, M, Chan, Y.L.
Deposit date:2003-08-22
Release date:2003-11-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:The common and distinctive features of the bulged-G motif based on a 1.04 A resolution RNA structure
Nucleic Acids Res., 31, 2003
6UII
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BU of 6uii by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol
Descriptor: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2019-10-01
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
5UAI
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BU of 5uai by Molmil
Crystal structure of Methionyl-tRNA formyltransferase from Pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, Methionyl-tRNA formyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-12-19
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of Methionyl-tRNA formyltransferase from Pseudomonas aeruginosa
to be published
8FHS
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BU of 8fhs by Molmil
Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution
Descriptor: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2022-12-15
Release date:2023-12-13
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
6KTL
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BU of 6ktl by Molmil
Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NAD and myo-inositol, from Paracoccus laeviglucosivorans
Descriptor: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S.
Deposit date:2019-08-28
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
5G3P
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BU of 5g3p by Molmil
Bacillus cereus formamidase (BceAmiF) acetylated at the active site.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gavira, J.A, Conejero-Muriel, M, Martinez-Rodriguez, S.
Deposit date:2016-04-29
Release date:2017-04-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
8AK2
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BU of 8ak2 by Molmil
Drosophila melanogaster UNC89 Protein Kinase Domain 1 (apo)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Obscurin
Authors:Dorendorf, T, Zacharchenko, T, Mayans, O.
Deposit date:2022-07-29
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:PK1 from Drosophila obscurin is an inactive pseudokinase with scaffolding properties.
Open Biology, 13, 2023
7MOV
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BU of 7mov by Molmil
PTP1B 1-301 F225Y-R199N mutations
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-05-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
4WK4
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BU of 4wk4 by Molmil
Metal Ion and Ligand Binding of Integrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-CYS-ARG-GLY-ASP-GLY-TRP-CYS, ...
Authors:Xia, W, Springer, T.A.
Deposit date:2014-10-01
Release date:2014-12-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Metal ion and ligand binding of integrin alpha 5 beta 1.
Proc.Natl.Acad.Sci.USA, 111, 2014
5ED4
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BU of 5ed4 by Molmil
Structure of a PhoP-DNA complex
Descriptor: 1,2-ETHANEDIOL, CACODYLATE ION, CALCIUM ION, ...
Authors:Wang, S.
Deposit date:2015-10-20
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of DNA sequence recognition by the response regulator PhoP in Mycobacterium tuberculosis.
Sci Rep, 6, 2016
6X1T
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BU of 6x1t by Molmil
Structure of pHis Fab (SC50-3) in complex with pHis mimetic peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kalagiri, R, Stanfield, R.L, Wilson, I.A, Hunter, T.
Deposit date:2020-05-19
Release date:2021-02-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ETF
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BU of 6etf by Molmil
The Structure of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP and molybdate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Krausze, J.
Deposit date:2017-10-26
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.781 Å)
Cite:The functional principle of eukaryotic molybdenum insertases.
Biochem. J., 475, 2018
3IDG
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BU of 3idg by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ALDKWD
Descriptor: 2F5 Fab heavy chain, 2F5 Fab light chain, gp41 MPER peptide
Authors:Julien, J.P, Bryson, S, Pai, E.F.
Deposit date:2009-07-21
Release date:2010-03-02
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
6UB7
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BU of 6ub7 by Molmil
Crystal structure of a GH128 (subgroup V) exo-beta-1,3-glucanase from Cryptococcus neoformans (CnGH128_V)
Descriptor: Glyco_hydro_cc domain-containing protein, POTASSIUM ION
Authors:Santos, C.R, Costa, P.A.C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6BBV
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BU of 6bbv by Molmil
Crystal Structure of JAK2 in complex with compound 25
Descriptor: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
9ATM
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BU of 9atm by Molmil
SARS-CoV-2 EG.5 RBD bound to the VIR-7229 and the S2H97 Fab fragments
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rietz, T, Park, Y.J, Errico, J, Czudnochowski, N, Nix, J.C, Corti, D, Snell, G, Marco, A.D, Pinto, D, Cameroni, E, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2024-02-27
Release date:2024-10-16
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A potent pan-sarbecovirus neutralizing antibody resilient to epitope diversification.
Cell, 187, 2024

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数据于2025-10-08公开中

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