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7SGR
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BU of 7sgr by Molmil
Structure of hemolysin A secretion system HlyB/D complex
Descriptor: Alpha-hemolysin translocation ATP-binding protein HlyB, Membrane fusion protein (MFP) family protein,Hemolysin secretion protein D, chromosomal, ...
Authors:Zhao, H, Chen, J.
Deposit date:2021-10-07
Release date:2022-09-14
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The hemolysin A secretion system is a multi-engine pump containing three ABC transporters.
Cell, 185, 2022
4AWP
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BU of 4awp by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
2ZN7
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BU of 2zn7 by Molmil
CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes
Descriptor: 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W, Wu, J.
Deposit date:2008-04-22
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
2LA2
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BU of 2la2 by Molmil
Solution structure of papiliocin isolated from the swallowtail butterfly, Papilio xuthus
Descriptor: Cecropin
Authors:Kim, Y, Kim, J.
Deposit date:2011-03-01
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure and function of papiliocin with antimicrobial and anti-inflammatory activities isolated from the swallowtail butterfly, Papilio xuthus
To be Published
1N6C
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BU of 1n6c by Molmil
Structure of SET7/9
Descriptor: S-ADENOSYLMETHIONINE, SET domain-containing protein 7
Authors:Kwon, T.W, Chang, J.H, Cho, Y.
Deposit date:2002-11-09
Release date:2003-02-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of histone lysine methyl transfer revealed by the structure of SET7/9-AdoMet
EMBO J., 22, 2003
8I4O
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BU of 8i4o by Molmil
Design of a split green fluorescent protein for sensing and tracking an beta-amyloid
Descriptor: Beta-amyloid, Split Green flourescent protein
Authors:Taegeun, Y, Jinsu, L, Jungmin, Y, Jungmin, C, Wondo, H, Song, J.J, Haksung, K.
Deposit date:2023-01-20
Release date:2023-11-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Engineering of a Fluorescent Protein for a Sensing of an Intrinsically Disordered Protein through Transition in the Chromophore State.
Jacs Au, 3, 2023
2Z65
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BU of 2z65 by Molmil
Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE, Lymphocyte antigen 96, ...
Authors:Lee, J.-O, Kim, H.M, Park, B.S.
Deposit date:2007-07-22
Release date:2007-09-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
2ZMM
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BU of 2zmm by Molmil
Crystal structure of PTP1B-inhibitor complex
Descriptor: 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Xu, W, Wu, J.
Deposit date:2008-04-19
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24
Chemmedchem, 3, 2008
2Z66
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BU of 2z66 by Molmil
Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variable lymphocyte receptor B, ...
Authors:Lee, J.-O, Kim, H.M, Park, B.S.
Deposit date:2007-07-22
Release date:2007-09-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
2Z63
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BU of 2z63 by Molmil
Crystal structure of the TV8 hybrid of human TLR4 and hagfish VLRB.61
Descriptor: 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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 4, ...
Authors:Kim, H.M, Park, B.S, Lee, J.-O.
Deposit date:2007-07-22
Release date:2007-09-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
4AWO
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BU of 4awo by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
Descriptor: 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4AWQ
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BU of 4awq by Molmil
Complex of HSP90 ATPase domain with tropane derived inhibitors
Descriptor: HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
Authors:Lougheed, J.C, Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
2Z64
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BU of 2z64 by Molmil
Crystal structure of mouse TLR4 and mouse MD-2 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, Lymphocyte antigen 96, ...
Authors:Lee, J.-O, Kim, H.M, Park, B.S.
Deposit date:2007-07-22
Release date:2007-09-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
2Z62
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BU of 2z62 by Molmil
Crystal structure of the TV3 hybrid of human TLR4 and hagfish VLRB.61
Descriptor: 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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 4, ...
Authors:Lee, J.-O, Kim, H.M, Park, B.S.
Deposit date:2007-07-22
Release date:2007-09-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran
Cell(Cambridge,Mass.), 130, 2007
7EOY
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BU of 7eoy by Molmil
Engineered Hepatitis B virus core antigen T=3
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-04-24
Release date:2021-09-01
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
7FDJ
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BU of 7fdj by Molmil
Engineered Hepatitis B virus core antigen with short linker T=4
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-07-16
Release date:2021-09-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
7EP6
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BU of 7ep6 by Molmil
Engineered Hepatitis B virus core antigen T=4
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-04-26
Release date:2021-09-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
2QBR
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BU of 2qbr by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBQ
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BU of 2qbq by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
2QBP
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BU of 2qbp by Molmil
Crystal structure of ptp1b-inhibitor complex
Descriptor: 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1
Authors:Xu, W.
Deposit date:2007-06-18
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.
J.Med.Chem., 50, 2007
3TJC
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BU of 3tjc by Molmil
Co-crystal structure of jak2 with thienopyridine 8
Descriptor: 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Huang, X.
Deposit date:2011-08-24
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
5IBL
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BU of 5ibl by Molmil
Human antibody 6639 in complex with influenza hemagglutinin H1 X-181
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6639 Heavy Chain, 6639 Light Chain, ...
Authors:Raymond, D.D, Harrison, S.C.
Deposit date:2016-02-22
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Influenza immunization elicits antibodies specific for an egg-adapted vaccine strain.
Nat. Med., 22, 2016
3P2F
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BU of 3p2f by Molmil
Crystal structure of TofI in an apo form
Descriptor: AHL synthase
Authors:Yu, S, Rhee, S.
Deposit date:2010-10-02
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
3P2H
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BU of 3p2h by Molmil
Crystal structure of TofI in a ternary complex with an inhibitor and MTA
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, AHL synthase, N-(3-oxocyclohex-1-en-1-yl)octanamide
Authors:Yu, S, Rhee, S.
Deposit date:2010-10-02
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
6RUJ
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BU of 6ruj by Molmil
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
Descriptor: CONSENSUS ANKYRIN REPEAT DOMAIN-(D)3-hydroxy-Leu, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
Authors:Nakashima, Y, McDonough, M.A, Schofield, C.J.
Deposit date:2019-05-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:A human protein hydroxylase that accepts D-residues
Commun Chem, 2020

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数据于2024-10-09公开中

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