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7EY8
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BU of 7ey8 by Molmil
portal
Descriptor: Portal protein
Authors:Liu, H.R, Chen, W.Y.
Deposit date:2021-05-30
Release date:2021-09-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EYB
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BU of 7eyb by Molmil
core proteins
Descriptor: Internal virion protein gp14, Internal virion protein gp15, Peptidoglycan transglycosylase gp16
Authors:Liu, H.R, Chen, W.Y.
Deposit date:2021-05-30
Release date:2021-09-22
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural changes in bacteriophage T7 upon receptor-induced genome ejection.
Proc.Natl.Acad.Sci.USA, 118, 2021
8UTL
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BU of 8utl by Molmil
Bovine trypsin in complex with Thr3Dap mutated microviridin J
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Chen, W, Bruner, S.D.
Deposit date:2023-10-31
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
8UO7
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BU of 8uo7 by Molmil
Bovine trypsin in complex with deacetylated wild type microviridin J
Descriptor: CALCIUM ION, Cationic trypsin, Deacetylated wildtype microviridin J, ...
Authors:Chen, W, Bruner, S.D.
Deposit date:2023-10-19
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Alternative Linkage Chemistries in the Chemoenzymatic Synthesis of Microviridin-Based Cyclic Peptides.
Org.Lett., 26, 2024
7CNN
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BU of 7cnn by Molmil
vinorelbine in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, Y.X, Wu, C.Y.
Deposit date:2020-08-02
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
7CNO
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BU of 7cno by Molmil
Phomopsin A in complex with tubulin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Wu, C.Y, Wang, Y.X.
Deposit date:2020-08-02
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
7CNM
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BU of 7cnm by Molmil
YDX in complex with tubulin
Descriptor: (2~{S},4~{S})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-4-methyl-3-[[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-cyclohexyl-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y.X, Wu, C.Y.
Deposit date:2020-08-02
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The high-resolution X-ray structure of vinca-domain inhibitors of microtubules provides a rational approach for drug design.
Febs Lett., 595, 2021
6YVC
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BU of 6yvc by Molmil
Crystal structure of the small alarmone hydrolase (SAH) of Pseudomonas aeruginosa
Descriptor: Bifunctional (P)ppGpp synthetase/guanosine-3',5'-bis(Diphosphate) 3'-pyrophosphohydrolase, MANGANESE (II) ION
Authors:Altegoer, F, Bange, G.
Deposit date:2020-04-28
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Dual role of a (p)ppGpp- and (p)ppApp-degrading enzyme in biofilm formation and interbacterial antagonism.
Mol.Microbiol., 115, 2021
3B2R
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BU of 3b2r by Molmil
Crystal Structure of PDE5A1 catalytic domain in complex with Vardenafil
Descriptor: 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Huanchen, W, Mengchun, Y, Howard, R, Sharron, H.F, Hengming, K.
Deposit date:2007-10-19
Release date:2008-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Conformational variations of both phosphodiesterase-5 and inhibitors provide the structural basis for the physiological effects of vardenafil and sildenafil.
Mol.Pharmacol., 73, 2008
4AW5
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BU of 4aw5 by Molmil
Complex of the EphB4 kinase domain with an oxindole inhibitor
Descriptor: (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4
Authors:Till, J.H, Stout, T.J.
Deposit date:2012-05-31
Release date:2012-08-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
8H89
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BU of 8h89 by Molmil
Capsid of Ralstonia phage GP4
Descriptor: Major capsid protein, Virion associated protein
Authors:Liu, H.R, Chen, W.Y.
Deposit date:2022-10-22
Release date:2022-11-16
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A Capsid Structure of Ralstonia solanacearum podoviridae GP4 with a Triangulation Number T = 9.
Viruses, 14, 2022
4ZSV
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BU of 4zsv by Molmil
Structure of a fusion protein with a helix linker, 2ARH-3-3KAW-1.0
Descriptor: Uncharacterized protein
Authors:Lai, Y.-T, Yeates, T.O.
Deposit date:2015-05-14
Release date:2015-08-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:On the predictability of the orientation of protein domains joined by a spanning alpha-helical linker.
Protein Eng.Des.Sel., 28, 2015
4ZSZ
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BU of 4zsz by Molmil
Structure of a fusion protein with a helix linker, 2ARH-3-3KAW-3.0
Descriptor: Uncharacterized Fusion Protein
Authors:Lai, Y.-T, Yeates, T.O.
Deposit date:2015-05-14
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.251 Å)
Cite:On the predictability of the orientation of protein domains joined by a spanning alpha-helical linker.
Protein Eng.Des.Sel., 28, 2015
2LCJ
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BU of 2lcj by Molmil
Solution NMR structure of Pab PolII Intein
Descriptor: Pab polC intein
Authors:Jiajing, L, Mills, K.V, Albracht, C.D.
Deposit date:2011-04-29
Release date:2011-09-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Mutational Studies of a Hyperthermophilic Intein from DNA Polymerase II of Pyrococcus abyssi.
J.Biol.Chem., 286, 2011
6DF1
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BU of 6df1 by Molmil
Anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with phosphotyrosine peptide
Descriptor: Anti-phosphotyrosine antibody 4G10-4D5 heavy chain, Anti-phosphotyrosine antibody 4G10-4D5 light chain, LEU-PTR
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6DF2
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BU of 6df2 by Molmil
Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide
Descriptor: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
6DF0
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BU of 6df0 by Molmil
anti-phosphotyrosine antibody 4G10-4D5 Fab complexed with sulfate
Descriptor: 4G10-4D5 Antibody Light chain, 4G10-4D5 Antibody heavy chain, SULFATE ION
Authors:Mou, K, Leung, K, Wells, J.A.
Deposit date:2018-05-13
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
Deposit date:2022-06-28
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
7C34
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BU of 7c34 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with Berberine
Descriptor: BERBERINE, Chitinase
Authors:Chen, L, Chen, J, Yang, Q.
Deposit date:2020-05-11
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.938 Å)
Cite:Crystal structure-guided design of berberine-based novel chitinase inhibitors.
J Enzyme Inhib Med Chem, 35, 2020
7C2L
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BU of 7c2l by Molmil
S protein of SARS-CoV-2 in complex bound with 4A8
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-05-08
Release date:2020-07-01
Last modified:2021-02-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
6XZ8
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BU of 6xz8 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide
Descriptor: Cytochrome P450 11B2, mitochondrial, HEME C, ...
Authors:Kuglstatter, A, Joseph, C, Benz, J.
Deposit date:2020-02-03
Release date:2020-06-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6XZ9
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BU of 6xz9 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one
Descriptor: 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ...
Authors:Kuglstatter, A, Joseph, C, Benz, J.
Deposit date:2020-02-03
Release date:2020-06-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
7CSD
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BU of 7csd by Molmil
AtPrR1 with NADP+ and (+)lariciresinol
Descriptor: 4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79709971 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS2
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BU of 7cs2 by Molmil
Apo structure of dimeric IiPLR1
Descriptor: Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68800473 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021
7CS6
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BU of 7cs6 by Molmil
IiPLR1 with NADP+ and (-)lariciresinol
Descriptor: 4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase
Authors:Shao, K, Zhang, P.
Deposit date:2020-08-14
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20139647 Å)
Cite:Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases.
Nat Commun, 12, 2021

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