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4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
Descriptor: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
Descriptor: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T.T, Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
6VJT
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BU of 6vjt by Molmil
Co-crystals of broadly neutralizing antibody with the linear epitope from Hepatitis B surface antigen
Descriptor: Heavy Chain Fab Fragment of Monoclonal Ab15, Light Chain Fab Fragment of Monoclonal antibody A15, antigenic region 139-148 of Hepatitis B surface antigen protein
Authors:Oren, D.A, Nussenzweig, M.C, Wang, Q.
Deposit date:2020-01-17
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.782 Å)
Cite:A Combination of Human Broadly Neutralizing Antibodies against Hepatitis B Virus HBsAg with Distinct Epitopes Suppresses Escape Mutations.
Cell Host Microbe, 28, 2020
4IA0
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BU of 4ia0 by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Ren, J, Chen, T, Xu, Y.
Deposit date:2012-12-05
Release date:2014-01-01
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
4I9Z
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BU of 4i9z by Molmil
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Descriptor: 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Ren, J, Chen, T, Xu, Y.
Deposit date:2012-12-05
Release date:2014-01-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
4IVO
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BU of 4ivo by Molmil
Structure of human protoporphyrinogen IX oxidase(R59Q)
Descriptor: 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Xiaohong, Q, Baifan, W.
Deposit date:2013-01-23
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Quantitative structural insight into human variegate porphyria disease.
J.Biol.Chem., 288, 2013
8ILX
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BU of 8ilx by Molmil
mCherry-LaM3 complex
Descriptor: LAM3, MCherry fluorescent protein
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8IM0
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BU of 8im0 by Molmil
mCherry-LaM8 complex
Descriptor: LaM8, MCherry fluorescent protein
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
8IM1
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BU of 8im1 by Molmil
mCherry-LaM1 complex
Descriptor: LaM1, MCherry fluorescent protein, SULFATE ION
Authors:Liang, H, Liu, R, Ding, Y.
Deposit date:2023-03-05
Release date:2023-06-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
4EJS
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BU of 4ejs by Molmil
Structure of yeast elongator subcomplex Elp456
Descriptor: Elongator complex protein 4, Elongator complex protein 5, Elongator complex protein 6
Authors:Lin, Z, Zhao, W, Long, J, Shen, Y.
Deposit date:2012-04-07
Release date:2012-05-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Crystal structure of elongator subcomplex Elp4-6
J.Biol.Chem., 287, 2012
6P3P
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BU of 6p3p by Molmil
Crystal structure of Mcl-1 in complex with compound 65
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
Authors:Toms, A.V, Follows, B.
Deposit date:2019-05-24
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
5D0O
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BU of 5d0o by Molmil
BamABCDE complex, outer membrane beta barrel assembly machinery entire complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
6ORO
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BU of 6oro by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab874NHP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab874NHP antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
5D0Q
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BU of 5d0q by Molmil
BamACDE complex, outer membrane beta-barrel assembly machinery (BAM) complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamC, Outer membrane protein assembly factor BamD, ...
Authors:Gu, Y, Paterson, N, Zeng, Y, Dong, H, Wang, W, Dong, C.
Deposit date:2015-08-03
Release date:2016-03-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of outer membrane protein insertion by the BAM complex.
Nature, 531, 2016
6ORQ
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BU of 6orq by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab275MUR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab275MUR antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
6ORN
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BU of 6orn by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch bNAb 10-1074
Descriptor: 10-1074 antibody Fab heavy chain, 10-1074 antibody Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
6ORP
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BU of 6orp by Molmil
Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab897NHP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab897NHP antibody Fab heavy chain, ...
Authors:Abernathy, M.E, Gristick, H.B, Bjorkman, P.J.
Deposit date:2019-04-30
Release date:2019-06-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques.
Nature, 570, 2019
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
Descriptor: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
Authors:Zhou, X, Hong, Y.
Deposit date:2019-01-15
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
6KVE
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BU of 6kve by Molmil
Crystal structure of a GH28 endo-polygalacturonase from Talaromyces leycettanus JCM 12802
Descriptor: Endo-polygalacturonase
Authors:Tu, T, Hakulinen, N, Yao, B.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase.
J.Agric.Food Chem., 69, 2021
8GU4
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BU of 8gu4 by Molmil
Poly(ethylene terephthalate) hydrolase (IsPETase)-linker
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Xiao, Y.J, Wang, Z.F.
Deposit date:2022-09-09
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
8GU5
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BU of 8gu5 by Molmil
Wild type poly(ethylene terephthalate) hydrolase
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Xiao, Y.J, Wang, Z.F.
Deposit date:2022-09-09
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Biodegradation of highly crystallized poly(ethylene terephthalate) through cell surface codisplay of bacterial PETase and hydrophobin.
Nat Commun, 13, 2022
7RA8
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BU of 7ra8 by Molmil
SARS-CoV-2 S glycoprotein in complex with S2X259 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab S2X259 Fab variable domain, ...
Authors:Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-30
Release date:2021-08-04
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
7RAL
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BU of 7ral by Molmil
SARS-CoV-2 S bound to S2X259 Fab (local refinement of the RBD/S2X259 variable domains)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2X259 Fab heavy chain, S2X259 Fab light chain, ...
Authors:Veesler, D, Tortorici, M.A, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-07-01
Release date:2021-08-04
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY
Cite:Broad sarbecovirus neutralization by a human monoclonal antibody.
Nature, 597, 2021
6EI3
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BU of 6ei3 by Molmil
Crystal structure of auto inhibited POT family peptide transporter
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Proton-dependent oligopeptide transporter family protein
Authors:Newstead, S, Brinth, A, Vogeley, L, Caffrey, M.
Deposit date:2017-09-17
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Proton movement and coupling in the POT family of peptide transporters.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3VAX
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BU of 3vax by Molmil
Crystal structure of DndA from streptomyces lividans
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Putative uncharacterized protein dndA
Authors:Zhang, Z, Chen, F, Lin, K, Wu, G.
Deposit date:2011-12-30
Release date:2013-01-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the cysteine desulfurase DndA from Streptomyces lividans which is involved in DNA phosphorothioation
Plos One, 7, 2012

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數據於2024-06-12公開中

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