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6CHP
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BU of 6chp by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)amino)ethyl)benzyl)piperidine-1-carboxylate
Descriptor: Phosphopantetheine adenylyltransferase, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-22
Release date:2018-04-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
5B7P
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BU of 5b7p by Molmil
Structures and functional analysis of periplasmic 5-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Aeromonas hydrophila
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, MTA/SAH nucleosidase
Authors:Xu, Y.
Deposit date:2016-06-08
Release date:2016-12-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and Functional Analyses of Periplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase from Aeromonas hydrophila.
Biochemistry, 56, 2017
7FEM
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BU of 7fem by Molmil
SARS-CoV-2 B.1.1.7 S-ACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wen, Z.L, Zhu, Y, Sun, F.
Deposit date:2021-07-21
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
7FET
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BU of 7fet by Molmil
SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wen, Z.L, Zhu, Y, Sun, F.
Deposit date:2021-07-21
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
4OHL
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BU of 4ohl by Molmil
LEOPARD Syndrome-Associated SHP2/T468M mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHH
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BU of 4ohh by Molmil
LEOPARD Syndrome-Associated SHP2/Q506P mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
6IPY
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BU of 6ipy by Molmil
His-tagged Fyn SH3 domain R96I mutant
Descriptor: Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.343 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
8TDO
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BU of 8tdo by Molmil
Cryo-EM structure of cardiac amyloid fibril from a variant ATTR I84S amyloidosis patient-3, variant-type morphology
Descriptor: Transthyretin
Authors:Nguyen, B.A, Singh, V, Saelices, L.
Deposit date:2023-07-04
Release date:2023-12-13
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural polymorphism of amyloid fibrils in ATTR amyloidosis revealed by cryo-electron microscopy.
Nat Commun, 15, 2024
8TDN
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BU of 8tdn by Molmil
Cryo-EM structure of cardiac amyloid fibril from a variant ATTR I84S amyloidosis patient-3, wild-type morphology
Descriptor: Transthyretin
Authors:Nguyen, B.A, Singh, V, Saelices, L.
Deposit date:2023-07-04
Release date:2023-12-13
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural polymorphism of amyloid fibrils in ATTR amyloidosis revealed by cryo-electron microscopy.
Nat Commun, 15, 2024
7VWZ
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BU of 7vwz by Molmil
Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y, Shi, J.
Deposit date:2021-11-12
Release date:2022-06-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator.
Nucleic Acids Res., 50, 2022
7VWY
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BU of 7vwy by Molmil
Cryo-EM structure of Rob-dependent transcription activation complex in a unique conformation
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y.
Deposit date:2021-11-12
Release date:2022-06-08
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.57 Å)
Cite:Structural basis of transcription activation by Rob, a pleiotropic AraC/XylS family regulator.
Nucleic Acids Res., 50, 2022
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
Descriptor: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
Deposit date:2021-11-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
6IPZ
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BU of 6ipz by Molmil
Fyn SH3 domain R96W mutant, crystallized with 18-crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Tyrosine-protein kinase Fyn
Authors:Arold, S.T, Aljedani, S.S, Shahul Hameed, U.F.
Deposit date:2018-11-05
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
5F54
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BU of 5f54 by Molmil
Structure of RecJ complexed with dTMP
Descriptor: MANGANESE (II) ION, Single-stranded-DNA-specific exonuclease, THYMIDINE-5'-PHOSPHATE
Authors:Hua, Y, Zhao, Y, Cheng, K.
Deposit date:2015-12-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
5F56
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BU of 5f56 by Molmil
Structure of RecJ complexed with DNA and SSB-ct
Descriptor: ALA-ASP-LEU-PRO-PHE, DNA (5'-D(*CP*TP*GP*AP*TP*GP*GP*CP*A)-3'), MANGANESE (II) ION, ...
Authors:Zhao, Y, Hua, Y, Cheng, K.
Deposit date:2015-12-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
5F55
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BU of 5f55 by Molmil
Structure of RecJ complexed with DNA
Descriptor: DNA (5'-D(*GP*AP*TP*GP*TP*AP*CP*GP*CP*TP*AP*GP*GP*C)-3'), MANGANESE (II) ION, SULFATE ION, ...
Authors:Hua, Y, Zhao, Y, Cheng, K.
Deposit date:2015-12-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for DNA 5 -end resection by RecJ
Elife, 5, 2016
7E2Q
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BU of 7e2q by Molmil
Crystal structure of Mycoplasma pneumoniae Enolase
Descriptor: Enolase, SULFATE ION
Authors:Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Xiong, Q, Shao, G, Feng, Z.
Deposit date:2021-02-07
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases.
Front Mol Biosci, 8, 2022
5WNW
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BU of 5wnw by Molmil
Chaperone Spy bound to Im7 6-45 ensemble
Descriptor: CHLORIDE ION, Colicin-E7 immunity protein, IMIDAZOLE, ...
Authors:Horowitz, S, Salmon, L, Koldewey, P, Ahlstrom, L.S, Martin, R, Xu, Q, Afonine, P.V, Trievel, R.C, Brooks, C.L, Bardwell, J.C.A.
Deposit date:2017-08-01
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
7E23
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BU of 7e23 by Molmil
SARS-CoV-2 spike in complex with the CA521 neutralizing antibody Fab (focused refinement on Fab-RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CA521 Heavy Chain, CA521 Light Chain, ...
Authors:Liu, C, Song, D, Dou, C.
Deposit date:2021-02-04
Release date:2021-05-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and function analysis of a potent human neutralizing antibody CA521 FALA against SARS-CoV-2.
Commun Biol, 4, 2021
5F9Q
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BU of 5f9q by Molmil
Crystal structure of the extracellular domain of noncanonic ABC-type transporter YknZ from Gram-positive bacteria
Descriptor: Macrolide export ATP-binding/permease protein YknZ
Authors:Xu, Y, Guo, J, Jiang, R, Jin, X, Fan, S, Quan, C.S, Ha, N.C.
Deposit date:2015-12-10
Release date:2016-02-03
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:The Crystal Structure of the YknZ Extracellular Domain of ABC Transporter YknWXYZ from Bacillus amyloliquefaciens.
Plos One, 11, 2016
7E2P
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BU of 7e2p by Molmil
The Crystal Structure of Mycoplasma bovis enolase
Descriptor: Enolase
Authors:Chen, R, Zhang, S, Gan, R, Wang, W, Ran, T, Shao, G, Xiong, Q, Feng, Z.
Deposit date:2021-02-07
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evidence for the Rapid and Divergent Evolution of Mycoplasmas: Structural and Phylogenetic Analysis of Enolases.
Front Mol Biosci, 8, 2022
7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
Descriptor: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-30
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-29
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
4OHI
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BU of 4ohi by Molmil
LEOPARD Syndrome-Associated SHP2/Q510E mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
Deposit date:2014-01-17
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
3TY5
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BU of 3ty5 by Molmil
Crystal Structure of C. thermocellum PNKP Ligase domain in complex with ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase, ...
Authors:Smith, P, Wang, L, Shuman, S.
Deposit date:2011-09-23
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The adenylyltransferase domain of bacterial Pnkp defines a unique RNA ligase family.
Proc.Natl.Acad.Sci.USA, 109, 2012

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