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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
4RSS
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BU of 4rss by Molmil
Crystal structure of tyrosine-protein kinase SYK with an inhibitor
Descriptor: 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
Authors:Lee, B.I, Lee, S.J, Choi, J.-S.
Deposit date:2014-11-11
Release date:2015-10-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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
6XPQ
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BU of 6xpq by Molmil
Human antibody D1 H1-17/H3-14 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
Descriptor: Hemagglutinin, antibody D1 H1-17/H3-14 light chain, antibody D1 H1-17/H3-14 heavy chain, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-08
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPX
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BU of 6xpx by Molmil
Human antibody S1V2-51 in complex with the influenza hemagglutinin head domain of A/Aichi/2/1968 (X-31)(H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, GLYCEROL, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPY
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BU of 6xpy by Molmil
Human antibody S1V2-58 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
Descriptor: Fab heavy chain, Fab light chain, Hemagglutinin, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.603 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XQ4
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BU of 6xq4 by Molmil
Human antibody S8V2-47 in complex with the influenza hemagglutinin head domain of A/Beijing/262/1995(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, antibody S8V2-47 heavy chain, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.347 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPO
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BU of 6xpo by Molmil
Influenza hemagglutinin A/Bangkok/01/1979(H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-08
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XPZ
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BU of 6xpz by Molmil
Human antibody S1V2-83 in complex with the influenza hemagglutinin head domain of A/Moscow/10/1999(H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XQ0
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BU of 6xq0 by Molmil
Human antibody S8V2-18 in complex with the influenza hemagglutinin head domain of A/California/7/2009(NYMC-X181)(H1N1)
Descriptor: GLYCEROL, Hemagglutinin, antibody S8V2-18 heavy chain, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6XQ2
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BU of 6xq2 by Molmil
Human antibody S8V2-37 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
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
3BF8
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BU of 3bf8 by Molmil
1.1 resolution structure of ybfF, a new esterase from Escherichia coli: a unique substrate-binding crevice generated by domain arrangement
Descriptor: Esterase YbfF, MALONIC ACID
Authors:Park, S.K, Kim, J.S.
Deposit date:2007-11-21
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:High-resolution structure of ybfF from Escherichia coli K12: a unique substrate-binding crevice generated by domain arrangement
J.Mol.Biol., 376, 2008
3BF7
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BU of 3bf7 by Molmil
1.1 resolution structure of ybfF, a new esterase from Escherichia coli: a unique substrate-binding crevice generated by domain arrangement
Descriptor: Esterase YbfF
Authors:Park, S.K, Kim, J.S.
Deposit date:2007-11-21
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-resolution structure of ybfF from Escherichia coli K12: a unique substrate-binding crevice generated by domain arrangement
J.Mol.Biol., 376, 2008
3OUM
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BU of 3oum by Molmil
Crystal Structure of toxoflavin-degrading enzyme in complex with toxoflavin
Descriptor: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione, MANGANESE (II) ION, toxoflavin-degrading enzyme
Authors:Kim, M.I, Rhee, S.
Deposit date:2010-09-15
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme
Plos One, 6, 2011
3OUL
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BU of 3oul by Molmil
Crystal Structure of toxoflavin-degrading enzyme in a substrate-free form
Descriptor: MANGANESE (II) ION, Toxoflavin-degrading enzyme
Authors:Kim, M.I, Rhee, S.
Deposit date:2010-09-15
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional analysis of phytotoxin toxoflavin-degrading enzyme
Plos One, 6, 2011
5IBU
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BU of 5ibu by Molmil
6652 Fab (unbound)
Descriptor: 6652 Heavy Chain, 6652 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 (1.71 Å)
Cite:Influenza immunization elicits antibodies specific for an egg-adapted vaccine strain.
Nat. Med., 22, 2016
5IBT
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BU of 5ibt by Molmil
UCA Fab (unbound) from 6515 Lineage
Descriptor: GLYCEROL, UCA Heavy Chain, UCA 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 (2.4 Å)
Cite:Influenza immunization elicits antibodies specific for an egg-adapted vaccine strain.
Nat. Med., 22, 2016
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
5IJT
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BU of 5ijt by Molmil
Human Peroxiredoxin 2 Oxidized (SS)
Descriptor: Peroxiredoxin-2, ZINC ION
Authors:Haynes, A.C, Bolduc, J.A, Lowther, W.T.
Deposit date:2016-03-02
Release date:2017-09-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Novel hyperoxidation resistance motifs in 2-Cys peroxiredoxins.
J. Biol. Chem., 293, 2018
7LF3
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BU of 7lf3 by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol-lactone AJH-836
Descriptor: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ...
Authors:Katti, S.S, Krieger, I.V.
Deposit date:2021-01-15
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
7L92
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BU of 7l92 by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol and dodecyl 2-(trimethylammonio)ethyl phosphate
Descriptor: DIACYL GLYCEROL, ETHANOL, Protein kinase C delta type, ...
Authors:Katti, S.S, Krieger, I.V.
Deposit date:2021-01-01
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
7LEO
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BU of 7leo by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol-lactone (AJH-836) and 1,2-diheptanoyl-sn-glycero-3-phosphocholine
Descriptor: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, Protein kinase C delta type, ZINC ION, ...
Authors:Katti, S.S, Krieger, I.
Deposit date:2021-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022

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数据于2024-09-04公开中

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