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8H7C
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BU of 8h7c by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative
Descriptor: ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ...
Authors:Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
Deposit date:2022-10-19
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H7D
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BU of 8h7d by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T)
Descriptor: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
Authors:Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
Deposit date:2022-10-19
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
4WWA
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BU of 4wwa by Molmil
Crystal structure of binary complex Bud32-Cgi121
Descriptor: EKC/KEOPS complex subunit BUD32, EKC/KEOPS complex subunit CGI121, SULFATE ION
Authors:Zhang, W, van Tilbeurgh, H.
Deposit date:2014-11-10
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.953 Å)
Cite:Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
4WW7
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BU of 4ww7 by Molmil
Crystal structure of binary complex Bud32-Cgi121 in complex with AMP
Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, EKC/KEOPS complex subunit BUD32, ...
Authors:Zhang, W, van Tilbeurgh, H.
Deposit date:2014-11-10
Release date:2015-03-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.669 Å)
Cite:Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
4WX8
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BU of 4wx8 by Molmil
Crystal structure of binary complex Gon7-Pcc1
Descriptor: ACETATE ION, EKC/KEOPS complex subunit GON7, EKC/KEOPS complex subunit PCC1
Authors:Zhang, W, Van Tilbeurgh, H.
Deposit date:2014-11-13
Release date:2015-03-18
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.
Nucleic Acids Res., 43, 2015
4WQ5
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BU of 4wq5 by Molmil
YgjD(V85E)-YeaZ heterodimer in complex with ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ...
Authors:Zhang, W.
Deposit date:2014-10-21
Release date:2015-01-28
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The ATP-mediated formation of the YgjD-YeaZ-YjeE complex is required for the biosynthesis of tRNA t6A in Escherichia coli.
Nucleic Acids Res., 43, 2015
8H7E
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BU of 8h7e by Molmil
Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution
Descriptor: ACETATE ION, De novo ferric enterobactin esterase Syn-F4
Authors:Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R.
Deposit date:2022-10-19
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4.
Proc.Natl.Acad.Sci.USA, 120, 2023
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A, Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
6RJI
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BU of 6rji by Molmil
X-ray structure of the elongation factor P of S. aureus
Descriptor: Elongation factor P
Authors:Fatkhullin, B.F, Golubev, A.A, Gabdulkhakov, A.G, Khusainov, I.S, Validov, S.Z, Usachev, K.S, Yusupova, G, Yusupov, M.M.
Deposit date:2019-04-27
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus.
Eur.Biophys.J., 49, 2020
8BJK
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BU of 8bjk by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor CPD11352
Descriptor: Histone deacetylase 6, POTASSIUM ION, ZINC ION, ...
Authors:Barinka, C, Motlova, L, Pavlicek, J.
Deposit date:2022-11-04
Release date:2023-09-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6).
Acs Chem.Biol., 18, 2023
6CUU
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BU of 6cuu by Molmil
Thermus thermophiles RNA polymerase in complex with promoter DNA and antibiotic Kanglemycin A
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*CP*TP*CP*TP*GP*AP*TP*GP*CP*A)-3'), DNA (5'-D(P*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Molodtsov, V, Murakami, K.S.
Deposit date:2018-03-26
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Mode of Action of Kanglemycin A, an Ansamycin Natural Product that Is Active against Rifampicin-Resistant Mycobacterium tuberculosis.
Mol. Cell, 72, 2018
6CUX
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BU of 6cux by Molmil
Escherichia coli RpoB S531L mutant RNA polymerase holoenzyme in complex with Kanglemycin A
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Molodtsov, V, Murakami, K.S.
Deposit date:2018-03-26
Release date:2018-07-25
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (4.104 Å)
Cite:Mode of Action of Kanglemycin A, an Ansamycin Natural Product that Is Active against Rifampicin-Resistant Mycobacterium tuberculosis.
Mol. Cell, 72, 2018
7B0Z
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BU of 7b0z by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
Descriptor: (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Binda, C.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021
7B0V
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BU of 7b0v by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
Descriptor: (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Binda, C.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021
8ELL
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BU of 8ell by Molmil
Apo human biliverdin reductase beta (cryogenic)
Descriptor: Flavin reductase (NADPH), SODIUM ION
Authors:McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle.
Front Mol Biosci, 10, 2023
8ELM
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BU of 8elm by Molmil
Apo human biliverdin reductase beta (293K)
Descriptor: Flavin reductase (NADPH), SODIUM ION
Authors:McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle.
Front Mol Biosci, 10, 2023
7B3N
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BU of 7b3n by Molmil
AmiP amidase-3 from Thermus parvatiensis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cell wall hydrolase, ...
Authors:Freitag-Pohl, S, Pohl, E.
Deposit date:2020-12-01
Release date:2022-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase.
Protein Sci., 32, 2023
6SKH
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BU of 6skh by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a inhibitor sulfamide inhibitor GluAsp
Descriptor: (2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Novakova, Z, Barinka, C.
Deposit date:2019-08-15
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
6SGP
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BU of 6sgp by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu
Descriptor: (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Shukla, S, Motlova, L.
Deposit date:2019-08-05
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
5D6S
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BU of 5d6s by Molmil
Structure of epoxyqueuosine reductase from Streptococcus thermophilus.
Descriptor: COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER
Authors:Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D.
Deposit date:2015-08-12
Release date:2015-09-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015
7RSA
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BU of 7rsa by Molmil
STRUCTURE OF PHOSPHATE-FREE RIBONUCLEASE A REFINED AT 1.26 ANGSTROMS
Descriptor: RIBONUCLEASE A, TERTIARY-BUTYL ALCOHOL
Authors:Wlodawer, A, Gilliland, G.L.
Deposit date:1988-06-10
Release date:1988-10-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure of phosphate-free ribonuclease A refined at 1.26 A.
Biochemistry, 27, 1988
8BH6
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BU of 8bh6 by Molmil
Mature 30S ribosomal subunit from Staphylococcus aureus
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Garaeva, N, Fatkhullin, B, Jenner, L, Soufari, H, Yusupov, M, Usachev, K.
Deposit date:2022-10-30
Release date:2023-09-20
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ribosome maturation factor P (RimP) from Staphylococcus aureus
Structure, 2023
8BH7
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BU of 8bh7 by Molmil
The complex of immature 30S ribosomal subunit with Ribosome maturation factor P (RimP) from Staphylococcus aureus
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Garaeva, N, Fatkhullin, B, Jenner, L, Soufari, H, Yusupov, M, Usachev, K.
Deposit date:2022-10-30
Release date:2023-09-20
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Ribosome maturation factor P (RimP) from Staphylococcus aureus
Structure, 2023
6RXC
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BU of 6rxc by Molmil
Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026)
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1, methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
Authors:Di Pisa, F, Dello Iacono, L, Pozzi, C, Mangani, S.
Deposit date:2019-06-07
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1.
J.Med.Chem., 65, 2022

225399

数据于2024-09-25公开中

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