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5CDP
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BU of 5cdp by Molmil
2.45A structure of etoposide with S.aureus DNA gyrase and DNA
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ...
Authors:Bax, B.D, Srikannathasan, V, Chan, P.F.
Deposit date:2015-07-04
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin.
Nat Commun, 6, 2015
6XPP
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BU of 6xpp by Molmil
Crystal structure of itaconate modified Mycobaterium tuberculosis isocitrate lyase
Descriptor: 2-methylidenebutanedioic acid, Isocitrate lyase, MAGNESIUM ION
Authors:Kwai, B.X.C, Bashiri, G, Leung, I.K.H.
Deposit date:2020-07-08
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Itaconate is a covalent inhibitor of the Mycobacterium tuberculosis isocitrate lyase.
Rsc Med Chem, 12, 2021
6N61
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BU of 6n61 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Capistruin
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capistruin, ...
Authors:Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-24
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.253 Å)
Cite:Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6N60
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BU of 6n60 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Microcin J25 (MccJ25)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-23
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.68 Å)
Cite:Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6UGK
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BU of 6ugk by Molmil
CRYSTAL STRUCTURE OF CIRCULARLY PERMUTED HUMAN TASPASE-1
Descriptor: CHLORIDE ION, SODIUM ION, Threonine aspartase 1,Threonine aspartase 1
Authors:Edwards, T.E, Delker, S.L.
Deposit date:2019-09-26
Release date:2021-03-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into the function of the catalytically active human Taspase1.
Structure, 29, 2021
5EUH
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BU of 5euh by Molmil
Crystal structure of the c-di-GMP-bound GGDEF domain of P. fluorescens GcbC
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Putative GGDEF domain membrane protein, SULFATE ION
Authors:Giglio, K.M, Cooley, R.B, Sondermann, H.
Deposit date:2015-11-18
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.989 Å)
Cite:Contribution of Physical Interactions to Signaling Specificity between a Diguanylate Cyclase and Its Effector.
Mbio, 6, 2015
6N62
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BU of 6n62 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-24
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.803 Å)
Cite:Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5W8J
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BU of 5w8j by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
Descriptor: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Lukacs, C.M, Moulin, A.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Dranow, D.M, Davies, D.R.
Deposit date:2019-08-01
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
5TXE
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BU of 5txe by Molmil
AtxE2 Isopeptidase - S527A Variant with Astexin3-dC4 Bound
Descriptor: Astexin3-dC4, AtxE2
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-11-16
Release date:2016-12-21
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates.
J. Am. Chem. Soc., 138, 2016
5W8K
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BU of 5w8k by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
6Q13
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BU of 6q13 by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2019-08-02
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
6EDW
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BU of 6edw by Molmil
Crystal structure of Mycobacterium tuberculosis ICL2 in the apo form
Descriptor: GLYCEROL, Isocitrate lyase 2, MAGNESIUM ION
Authors:Bashiri, G, Bhusal, R, Leung, I.
Deposit date:2018-08-12
Release date:2019-08-14
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.
Nat Commun, 10, 2019
6EE1
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BU of 6ee1 by Molmil
Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, Isocitrate lyase 2, MAGNESIUM ION
Authors:Bashiri, G, Bhusal, R, Leung, I.
Deposit date:2018-08-12
Release date:2019-08-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.
Nat Commun, 10, 2019
6EDZ
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BU of 6edz by Molmil
Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA, form I
Descriptor: ACETYL COENZYME *A, Isocitrate lyase 2
Authors:Bashiri, G, Bhusal, R, Leung, I.
Deposit date:2018-08-12
Release date:2019-08-14
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2.
Nat Commun, 10, 2019
5W8I
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BU of 5w8i by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
Descriptor: 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Abendroth, J.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8H
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BU of 5w8h by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11
Descriptor: 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Lukacs, C.M, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5TXC
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BU of 5txc by Molmil
AtxE2 Isopeptidase - APO
Descriptor: AtxE2
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2016-11-16
Release date:2016-12-21
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structure of the Lasso Peptide Isopeptidase Identifies a Topology for Processing Threaded Substrates.
J. Am. Chem. Soc., 138, 2016
5W8L
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BU of 5w8l by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
Authors:Davies, D.R, Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
1SUG
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BU of 1sug by Molmil
1.95 A structure of apo protein tyrosine phosphatase 1B
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Protein-tyrosine phosphatase, ...
Authors:Pedersen, A.K, Peters, G.H, Moller, K.B, Iversen, L.F, Kastrup, J.S.
Deposit date:2004-03-26
Release date:2004-09-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Water-molecule network and active-site flexibility of apo protein tyrosine phosphatase 1B.
Acta Crystallogr.,Sect.D, 60, 2004
2GZD
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BU of 2gzd by Molmil
Crystal Structure of Rab11 in Complex with Rab11-FIP2
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rab11 family-interacting protein 2, ...
Authors:Khan, A.R.
Deposit date:2006-05-11
Release date:2006-08-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal structure of rab11 in complex with rab11 family interacting protein 2.
Structure, 14, 2006
2GZH
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BU of 2gzh by Molmil
Crystal Structure of Rab11 in Complex with Rab11-Family Interacting Protein 2
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Khan, A.R.
Deposit date:2006-05-11
Release date:2006-08-15
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of rab11 in complex with rab11 family interacting protein 2.
Structure, 14, 2006
7MYV
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BU of 7myv by Molmil
Plasmodium falciparum HAD5/PMM
Descriptor: MAGNESIUM ION, Phosphomannomutase
Authors:Frasse, P.M, Odom John, A.R, Goldberg, D.E.
Deposit date:2021-05-21
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Enzymatic and structural characterization of HAD5, an essential phosphomannomutase of malaria-causing parasites.
J.Biol.Chem., 298, 2022
2M8F
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BU of 2m8f by Molmil
Structure of lasso peptide astexin3
Descriptor: astexin3
Authors:Maksimov, M.O, Link, A.
Deposit date:2013-05-18
Release date:2013-07-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery and characterization of an isopeptidase that linearizes lasso peptides.
J.Am.Chem.Soc., 135, 2013
2N6U
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BU of 2n6u by Molmil
Solution study of Astexin2-dC4
Descriptor: Astexin2-dC4
Authors:Link, A, Maksimov, M.O.
Deposit date:2015-08-28
Release date:2015-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Elucidating the Specificity Determinants of the AtxE2 Lasso Peptide Isopeptidase.
J.Biol.Chem., 290, 2015

223532

数据于2024-08-07公开中

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