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5UWC
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BU of 5uwc by Molmil
Cytokine-receptor complex
Descriptor: 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, CITRIC ACID, ...
Authors:Broughton, S.E, Parker, M.W.
Deposit date:2017-02-21
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A dual role for the N-terminal domain of the IL-3 receptor in cell signalling.
Nat Commun, 9, 2018
1GYZ
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BU of 1gyz by Molmil
Bacterial ribosomal protein L20 from Aquifex aeolicus
Descriptor: 50S RIBOSOMAL PROTEIN L20
Authors:Raibaud, S, Lebars, I, Bontems, F, Dardel, F.
Deposit date:2002-05-02
Release date:2002-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure of Bacterial Ribosomal Protein L20: Implications for Ribosome Assembly and Translational Control
J.Mol.Biol., 323, 2002
5UV8
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BU of 5uv8 by Molmil
Interleukin-3 Receptor Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Interleukin-3, ...
Authors:Broughton, S.E, Parker, M.W.
Deposit date:2017-02-19
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A dual role for the N-terminal domain of the IL-3 receptor in cell signalling.
Nat Commun, 9, 2018
4DGM
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BU of 4dgm by Molmil
Crystal Structure of maize CK2 in complex with the inhibitor apigenin
Descriptor: 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha, ...
Authors:Lolli, G, Mazzorana, M, Battistutta, R.
Deposit date:2012-01-26
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight.
Biochemistry, 51, 2012
4C5B
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BU of 4c5b by Molmil
The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ATP and D-ala-D-ala
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CARBONATE ION, D-ALANINE, ...
Authors:Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I.
Deposit date:2013-09-10
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.
Nat Commun, 8, 2017
4C5C
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BU of 4c5c by Molmil
The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ADP and D-ala-D-ala
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-ALANINE--D-ALANINE LIGASE, ...
Authors:Batson, S, Majce, V, Lloyd, A.J, Rea, D, Fishwick, C.W.G, Simmons, K.J, Fulop, V, Roper, D.I.
Deposit date:2013-09-10
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.
Nat Commun, 8, 2017
6ZYP
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BU of 6zyp by Molmil
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Descriptor: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYN
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BU of 6zyn by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Descriptor: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4000138 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYQ
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BU of 6zyq by Molmil
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYS
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BU of 6zys by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87000954 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
7BJ9
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BU of 7bj9 by Molmil
Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a
Descriptor: (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2021-01-14
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21000588 Å)
Cite:2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
7BJ8
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BU of 7bj8 by Molmil
Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2021-01-14
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
5LCP
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BU of 5lcp by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, DIMETHYL SULFOXIDE, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
To Be Published
5LCT
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BU of 5lct by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.615 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCU
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BU of 5lcu by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-06-22
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.579 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
3LKA
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BU of 3lka by Molmil
Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide
Descriptor: 4-methoxybenzenesulfonamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2010-01-27
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Entropic contribution to the linking coefficient in fragment based drug design: a case study.
J.Med.Chem., 53, 2010
3FL5
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BU of 3fl5 by Molmil
Protein kinase CK2 in complex with the inhibitor Quinalizarin
Descriptor: 1,2,5,8-tetrahydroxyanthracene-9,10-dione, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER
Authors:Mazzorana, M, Franchin, C, Battistutta, R.
Deposit date:2008-12-18
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2
Biochem.J., 421, 2009
1G10
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BU of 1g10 by Molmil
TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR STRUCTURE
Descriptor: TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR
Authors:Hemmi, H, Studts, J.M, Chae, Y.K, Song, J, Markley, J.L, Fox, B.G.
Deposit date:2000-10-10
Release date:2001-05-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the toluene 4-monooxygenase effector protein (T4moD).
Biochemistry, 40, 2001
1HLQ
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BU of 1hlq by Molmil
CRYSTAL STRUCTURE OF RHODOFERAX FERMENTANS HIGH POTENTIAL IRON-SULFUR PROTEIN REFINED TO 1.45 A
Descriptor: HIGH-POTENTIAL IRON-SULFUR PROTEIN, IRON/SULFUR CLUSTER, SULFATE ION
Authors:Gonzalez, A, Ciurli, S, Benini, S.
Deposit date:2000-12-01
Release date:2003-06-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of Rhodoferax fermentans high-potential iron-sulfur protein solved by MAD.
Acta Crystallogr.,Sect.D, 59, 2003
1G11
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BU of 1g11 by Molmil
TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR PROTEIN NMR STRUCTURE
Descriptor: TOLUENE-4-MONOOXYGENASE CATALYTIC EFFECTOR
Authors:Hemmi, H, Studts, J.M, Chae, Y.K, Song, J, Markley, J.L, Fox, B.G.
Deposit date:2000-10-10
Release date:2001-05-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the toluene 4-monooxygenase effector protein (T4moD).
Biochemistry, 40, 2001
1DCJ
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BU of 1dcj by Molmil
SOLUTION STRUCTURE OF YHHP, A NOVEL ESCHERICHIA COLI PROTEIN IMPLICATED IN THE CELL DIVISION
Descriptor: YHHP PROTEIN
Authors:Katoh, E, Hatta, T, Shindo, H, Mizuno, T, Yamazaki, T.
Deposit date:1999-11-05
Release date:2001-07-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High precision NMR structure of YhhP, a novel Escherichia coli protein implicated in cell division.
J.Mol.Biol., 304, 2000
4A78
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BU of 4a78 by Molmil
cytochrome c peroxidase M119W in complex with guiacol
Descriptor: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, Guaiacol, ...
Authors:Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E.
Deposit date:2011-11-11
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase.
FEBS J., 279, 2012
4AL3
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BU of 4al3 by Molmil
peptide deformylase (Co-form) with mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, COBALT (II) ION, ...
Authors:Palm, G.J, Hinrichs, W.
Deposit date:2012-02-29
Release date:2012-04-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Fret Enzyme-Based Probe for Monitoring Hydrogen Sulfide.
Inorg.Chem., 51, 2012
4A7M
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BU of 4a7m by Molmil
cytochrome c peroxidase S81W mutant
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ...
Authors:Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E.
Deposit date:2011-11-14
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase.
FEBS J., 279, 2012
4A71
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BU of 4a71 by Molmil
cytochrome c peroxidase in complex with phenol
Descriptor: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PHENOL, ...
Authors:Murphy, E.J, Metcalfe, C.L, Raven, E.L, Moody, P.C.E.
Deposit date:2011-11-10
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of Guaiacol and Phenol Bound to a Heme Peroxidase.
FEBS J., 279, 2012

222036

數據於2024-07-03公開中

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