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8HM2
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BU of 8hm2 by Molmil
Crystal structure of human ubiquitin-like protein from bacteroides fragilis c terminal cysteine mutant
Descriptor: Putative ubiquitin
Authors:Tong, M, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM1
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BU of 8hm1 by Molmil
crystal structure of human ubiquitin-like protein from Bacteroides fragilis
Descriptor: 1,2-ETHANEDIOL, Putative ubiquitin
Authors:Tong, M, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM3
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BU of 8hm3 by Molmil
Complex of PPIase-BfUbb
Descriptor: GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ...
Authors:Xu, J.H, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
8HM4
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BU of 8hm4 by Molmil
Crystal structure of PPIase
Descriptor: Peptidylprolyl isomerase
Authors:Xu, J.H, Chen, Z, Gao, X.
Deposit date:2022-12-02
Release date:2023-11-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
6XNV
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BU of 6xnv by Molmil
CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES CBPB PROTEIN (LMO1009) IN COMPLEX WITH C-DI-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CBS domain-containing protein
Authors:Luo, S, Tong, L.
Deposit date:2020-07-04
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:(p)ppGpp and c-di-AMP Homeostasis Is Controlled by CbpB in Listeria monocytogenes.
Mbio, 11, 2020
6OUG
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BU of 6oug by Molmil
Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, TM + cytosolic helix construct
Descriptor: (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine, Matrix protein 2
Authors:Thomaston, J.L, Liu, L, DeGrado, W.F.
Deposit date:2019-05-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:X-ray Crystal Structures of the Influenza M2 Proton Channel Drug-Resistant V27A Mutant Bound to a Spiro-Adamantyl Amine Inhibitor Reveal the Mechanism of Adamantane Resistance.
Biochemistry, 59, 2020
4ZUT
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BU of 4zut by Molmil
Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12
Descriptor: Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP
Authors:Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C.
Deposit date:2015-05-17
Release date:2016-04-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
2Y1R
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BU of 2y1r by Molmil
Structure of MecA121 & ClpC N-domain complex
Descriptor: ADAPTER PROTEIN MECA 1, NEGATIVE REGULATOR OF GENETIC COMPETENCE CLPC/MECB, S,R MESO-TARTARIC ACID
Authors:Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G.
Deposit date:2010-12-10
Release date:2011-03-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Structure and Mechanism of the Hexameric Meca-Clpc Molecular Machine.
Nature, 471, 2011
6JDV
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BU of 6jdv by Molmil
Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in catalytic state
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, MAGNESIUM ION, ...
Authors:Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
Deposit date:2019-02-02
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6JDQ
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BU of 6jdq by Molmil
Crystal structure of Nme1Cas9 in complex with sgRNA
Descriptor: CRISPR-associated endonuclease Cas9, sgRNA
Authors:Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
Deposit date:2019-02-02
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6JE3
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BU of 6je3 by Molmil
Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) with 5 nt overhang
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target DNA strand, ...
Authors:Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
Deposit date:2019-02-03
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.931 Å)
Cite:Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
8PXS
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BU of 8pxs by Molmil
Short RNA binding to peptide amyloids
Descriptor: RNA (5'-R(P*GP*UP*CP*A)-3'), VAL-ALA-GLN-ALA-GLN-ILE-ASN-ILE
Authors:Rout, S.K, Cadalbert, R, Schroder, N, Wiegand, T, Zehnder, J, Gampp, O, Guntert, P, Kringler, D, Kreutz, C, Knorlein, A, Hall, J, Greenwald, J, Riek, R.
Deposit date:2023-07-24
Release date:2023-10-18
Method:SOLID-STATE NMR
Cite:An Analysis of Nucleotide-Amyloid Interactions Reveals Selective Binding to Codon-Sized RNA.
J.Am.Chem.Soc., 145, 2023
6KC8
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BU of 6kc8 by Molmil
Crystal structure of WT Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in post-cleavage state
Descriptor: CRISPR-associated endonuclease Cas9, DNA (5'-D(*AP*TP*AP*TP*GP*AP*TP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*AP*TP*CP*AP*TP*AP*TP*GP*TP*A)-3'), ...
Authors:Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
Deposit date:2019-06-27
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6KDV
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BU of 6kdv by Molmil
Crystal structure of TtCas1-DNA complex
Descriptor: CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3')
Authors:Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y.
Deposit date:2019-07-02
Release date:2019-12-18
Last modified:2020-05-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
1YW8
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BU of 1yw8 by Molmil
h-MetAP2 complexed with A751277
Descriptor: 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Park, C.H.
Deposit date:2005-02-17
Release date:2006-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-08-06
Release date:2016-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
1YW9
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BU of 1yw9 by Molmil
h-MetAP2 complexed with A849519
Descriptor: 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Park, C.H.
Deposit date:2005-02-17
Release date:2006-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
4I5S
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BU of 4i5s by Molmil
Structure and function of sensor histidine kinase
Descriptor: Putative histidine kinase CovS; VicK-like protein
Authors:Cai, Y.
Deposit date:2012-11-28
Release date:2013-03-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Mechanistic insights revealed by the crystal structure of a histidine kinase with signal transducer and sensor domains
Plos Biol., 11, 2013
6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
3KJ4
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BU of 3kj4 by Molmil
Structure of rat Nogo receptor bound to 1D9 antagonist antibody
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment 1D9 heavy chain, ...
Authors:Silvian, L.F.
Deposit date:2009-11-02
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Resolution of disulfide heterogeneity in Nogo receptor 1 fusion proteins by molecular engineering.
Biotechnol Appl Biochem, 57, 2010
8J1V
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BU of 8j1v by Molmil
Cryo-EM structure of SARS-CoV2 Omicron BA.5 spike in complex with 8-9D Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8-9D heavy chain, 8-9D light chain, ...
Authors:Xiang, Y, Li, R.
Deposit date:2023-04-13
Release date:2023-11-29
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
8J1T
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BU of 8j1t by Molmil
Local refined cryo-EM structure of Omicron BA.5 RBD in complex with 8-9D Fab
Descriptor: 8-9D heavy chain, 8-9D light chain, Spike protein
Authors:Xiang, Y, Li, R.
Deposit date:2023-04-13
Release date:2023-11-29
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:A lung-selective delivery of mRNA encoding broadly neutralizing antibody against SARS-CoV-2 infection.
Nat Commun, 14, 2023
4OV4
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BU of 4ov4 by Molmil
Isopropylmalate synthase binding with ketoisovalerate
Descriptor: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, ZINC ION
Authors:Zhang, Z, Wu, J, Wang, C, Zhang, P.
Deposit date:2014-02-20
Release date:2014-08-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Subdomain II of alpha-isopropylmalate synthase is essential for activity: inferring a mechanism of feedback inhibition.
J.Biol.Chem., 289, 2014
3LAL
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BU of 3lal by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor
Descriptor: 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION
Authors:Lansdon, E.B, Mitchell, M.L.
Deposit date:2010-01-06
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010

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