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3IEV
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BU of 3iev by Molmil
Crystal Structure of ERA in Complex with MgGNP and the 3' End of 16S rRNA
Descriptor: 5'-R(P*AP*UP*CP*AP*CP*CP*UP*CP*CP*UP*UP*A)-3', GTP-binding protein era, MAGNESIUM ION, ...
Authors:Tu, C, Ji, X.
Deposit date:2009-07-23
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of ERA in complex with the 3' end of 16S rRNA: implications for ribosome biogenesis
Proc.Natl.Acad.Sci.USA, 106, 2009
5X5L
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BU of 5x5l by Molmil
Crystal structure of response regulator AdeR DNA binding domain in complex with an intercistronic region
Descriptor: AdeR, DNA (5'-D(P*TP*AP*AP*AP*GP*TP*GP*TP*GP*GP*AP*GP*TP*AP*AP*GP*TP*GP*TP*GP*GP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*CP*CP*AP*CP*AP*CP*TP*TP*AP*CP*TP*CP*CP*AP*CP*AP*CP*TP*TP*TP*A)-3')
Authors:Wen, Y.
Deposit date:2017-02-16
Release date:2017-08-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanistic insight into how multidrug resistant Acinetobacter baumannii response regulator AdeR recognizes an intercistronic region.
Nucleic Acids Res., 45, 2017
2QC3
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BU of 2qc3 by Molmil
Crystal structure of MCAT from Mycobacterium tuberculosis
Descriptor: ACETIC ACID, Malonyl CoA-acyl carrier protein transacylase
Authors:Li, Z, Huang, Y, Ge, J, Bartlam, M, Wang, H, Rao, Z.
Deposit date:2007-06-19
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of MCAT from Mycobacterium tuberculosis Reveals Three New Catalytic Models.
J.Mol.Biol., 371, 2007
5GMZ
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BU of 5gmz by Molmil
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
Descriptor: (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2016-07-18
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
8KHU
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BU of 8khu by Molmil
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
Descriptor: (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2023-08-22
Release date:2023-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
8JO4
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BU of 8jo4 by Molmil
Cryo-EM structure of a Legionella effector complexed with actin and ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q.
Deposit date:2023-06-07
Release date:2024-05-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
8JO3
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BU of 8jo3 by Molmil
Cryo-EM structure of a Legionella effector complexed with actin and AMP
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q.
Deposit date:2023-06-07
Release date:2024-05-01
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
3NTZ
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BU of 3ntz by Molmil
Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Descriptor: Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-06
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
3NU0
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BU of 3nu0 by Molmil
Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Descriptor: (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Cody, V.
Deposit date:2010-07-06
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
8SX3
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BU of 8sx3 by Molmil
10E8-GT10.2 immunogen in complex with human Fab 10E8 and mouse Fab W6-10
Descriptor: 10E8 Fab heavy chain, 10E8 light chain, 10E8-GT10.2 immunogen, ...
Authors:Huang, J, Ozorowski, G, Ward, A.B.
Deposit date:2023-05-19
Release date:2024-05-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8U03
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BU of 8u03 by Molmil
Crystal structure of non-glycosylated 10E8-GT10.1 scaffold in complex with a human 10E8 NGS precursor (10E8-NGS-03)
Descriptor: 10E8-GT10.1 epitope scaffold, 10E8-NGS-03 Fab Light Chain, 10E8-NGS-03 Fab heavy chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZN
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BU of 8tzn by Molmil
Crystal structure of 10E8-GT10.2 HIV-1 MPER scaffold in complex with a non-human primate W3-01 Fab
Descriptor: 10E8-GT10.2 MPER scaffold, W3-01 Fab Heavy Chain, W3-01 Fab Light Chain
Authors:Lee, C.C.D, Wilson, I.A.
Deposit date:2023-08-27
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZW
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BU of 8tzw by Molmil
Crystal structure of 10E8-GT4 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
Descriptor: 10E8-GT4 epitope scaffold, 10E8-IGL1 Fab Light Chain, 10E8-IGL1 Fab heavy chain
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8U08
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BU of 8u08 by Molmil
Crystal structure of 10E8-GT11 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
Descriptor: 10E8-GT11 epitope scaffold, 10E8-IGL1 heavy chain, 10E8-IGL1 light chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2023-08-28
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
4E0R
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BU of 4e0r by Molmil
Structure of the chicken MHC class I molecule BF2*0401
Descriptor: 8-MERIC PEPTIDE (FUS/TLS), Beta-2 microglobulin, MHC class I alpha chain 2
Authors:Zhang, J, Chen, Y, Qi, J, Gao, F, Kaufman, J, Xia, C, Gao, G.F.
Deposit date:2012-03-05
Release date:2012-11-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
3UEY
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BU of 3uey by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-10-31
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
2MLB
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BU of 2mlb by Molmil
NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin
Descriptor: redesigned ubiquitin
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-02-21
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
2MN4
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BU of 2mn4 by Molmil
NMR solution structure of a computational designed protein based on structure template 1cy5
Descriptor: Computational designed protein based on structure template 1cy5
Authors:Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H.
Deposit date:2014-03-28
Release date:2014-10-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability
Nat Commun, 5, 2014
3UGD
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BU of 3ugd by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
4G42
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BU of 4g42 by Molmil
Structure of the Chicken MHC Class I Molecule BF2*0401 complexed to pepitde P8D
Descriptor: 8-MERIC PEPTIDE P8D, Beta-2 microglobulin, MHC class I alpha chain 2
Authors:Zhang, J, Chen, Y, Qi, J, Gao, F, Liu, J, Kaufman, J, Xia, C, Gao, G.F.
Deposit date:2012-07-16
Release date:2012-11-21
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
3VK6
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BU of 3vk6 by Molmil
Crystal structure of a phosphotyrosine binding domain
Descriptor: E3 ubiquitin-protein ligase Hakai, ZINC ION
Authors:Sivaraman, J, Mukherjee, M.
Deposit date:2011-11-09
Release date:2012-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a novel phosphotyrosine-binding domain in Hakai that targets E-cadherin
Embo J., 31, 2012
8GT6
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BU of 8gt6 by Molmil
human STING With agonist HB3089
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
8GSZ
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BU of 8gsz by Molmil
Structure of STING SAVI-related mutant V147L
Descriptor: Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
6OMM
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BU of 6omm by Molmil
Cryo-EM structure of formyl peptide receptor 2/lipoxin A4 receptor in complex with Gi
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhuang, Y, Liu, H, de Waal, P.W, Zhou, X.E, Wang, L, Meng, X, Zhao, G, Kang, Y, Melcher, K, Xu, H.E, Zhang, C.
Deposit date:2019-04-19
Release date:2020-02-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structure of formylpeptide receptor 2-Gicomplex reveals insights into ligand recognition and signaling.
Nat Commun, 11, 2020
2OBE
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BU of 2obe by Molmil
Crystal Structure of Chimpanzee Adenovirus (Type 68/Simian 25) Major Coat Protein Hexon
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIHYDROGENPHOSPHATE ION, Hexon protein
Authors:Xue, F, Rux, J.J, Burnett, R.M.
Deposit date:2006-12-18
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based identification of a major neutralizing site in an adenovirus hexon
J.Virol., 81, 2007

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