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6YGN
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BU of 6ygn by Molmil
Titin kinase and its flanking domains
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Titin
Authors:Fleming, J.R, Franke, B, Bogomolovas, J, Mayans, O.
Deposit date:2020-03-27
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Titin kinase ubiquitination aligns autophagy receptors with mechanical signals in the sarcomere.
Embo Rep., 22, 2021
6Z4K
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BU of 6z4k by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 6 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4J
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BU of 6z4j by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 5 in P21 space group
Descriptor: CHLORIDE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4M
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BU of 6z4m by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 10 in P21 space group
Descriptor: CHLORIDE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4G
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BU of 6z4g by Molmil
A4V mutant of human SOD1 bound with ebselen in P21 space group
Descriptor: ACETATE ION, CHLORIDE ION, N-phenyl-2-selanylbenzamide, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z3V
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BU of 6z3v by Molmil
A4V mutant of human SOD1 bound with N-aryl benzoisoselenazolone derivative 13 in P21 space group
Descriptor: 5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
7P6X
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BU of 7p6x by Molmil
Cryo-Em structure of the hexameric RUVBL1-RUVBL2 in complex with ZNHIT2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2
Authors:Llorca, O, Serna, M, Fernandez-Leiro, R.
Deposit date:2021-07-18
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:CryoEM of RUVBL1-RUVBL2-ZNHIT2, a complex that interacts with pre-mRNA-processing-splicing factor 8.
Nucleic Acids Res., 50, 2022
6Z4I
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BU of 6z4i by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4O
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BU of 6z4o by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
6Z4H
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BU of 6z4h by Molmil
A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 2 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
6Z4L
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BU of 6z4l by Molmil
A4V mutant of human SOD1 bound with 2-(pyridin-3-ylmethyl)benzoisoselenazolone derivative 9 in P21 space group
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2020-05-25
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Ebiomedicine, 59, 2020
4LVC
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BU of 4lvc by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine
Descriptor: ACETATE ION, ADENOSINE, AMMONIUM ION, ...
Authors:Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M.
Deposit date:2013-07-26
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii.
Acta Crystallogr.,Sect.D, 71, 2015
6FE6
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BU of 6fe6 by Molmil
Solution structure of a last generation P2-P4 macrocyclic inhibitor
Descriptor: (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide, Non-structural 3 protease, ZINC ION
Authors:Gallo, M, Eliseo, T, Cicero, D.O.
Deposit date:2017-12-29
Release date:2019-01-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A.
To Be Published
3FZD
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BU of 3fzd by Molmil
Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro
Descriptor: 3C-like proteinase
Authors:Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E.
Deposit date:2009-01-25
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
3PI5
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BU of 3pi5 by Molmil
Crystal Structure of Human Beta Secretase in Complex with BFG356
Descriptor: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1
Authors:Rondeau, J.M.
Deposit date:2010-11-05
Release date:2011-03-23
Last modified:2017-03-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
6HPV
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BU of 6hpv by Molmil
Crystal structure of mouse fetuin-B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Fetuin-B
Authors:Fahrenkamp, D, Dietzel, E, de Sanctis, D, Jovine, L.
Deposit date:2018-09-22
Release date:2019-02-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of mammalian plasma fetuin-B and its mechanism of selective metallopeptidase inhibition.
Iucrj, 6, 2019
1G96
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BU of 1g96 by Molmil
HUMAN CYSTATIN C; DIMERIC FORM WITH 3D DOMAIN SWAPPING
Descriptor: CHLORIDE ION, CYSTATIN C, GLYCEROL
Authors:Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Grubb, A, Abrahamson, M, Jaskolski, M.
Deposit date:2000-11-22
Release date:2001-04-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human cystatin C, an amyloidogenic protein, dimerizes through three-dimensional domain swapping.
Nat.Struct.Biol., 8, 2001
2RSC
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BU of 2rsc by Molmil
Solution Structure of the bombyx mori lysozyme
Descriptor: Lysozyme
Authors:Sato, M, Tochio, N, Aizawa, T.
Deposit date:2011-12-19
Release date:2012-12-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the Bombyx Mori LYSOZYME
To be Published
5W4G
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BU of 5w4g by Molmil
Importin binding to NLS peptide of DNA polymerase lambda
Descriptor: DNA polymerase lambda, GLYCEROL, Importin subunit alpha-1, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-06-10
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:Structure of Importin with bound NLS from DNA polymerase lambda
To Be Published
2YTX
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BU of 2ytx by Molmil
Solution structure of the second cold-shock domain of the human KIAA0885 protein (UNR protein)
Descriptor: Cold shock domain-containing protein E1
Authors:Goroncy, A.K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-05
Release date:2008-04-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The NMR solution structures of the five constituent cold-shock domains (CSD) of the human UNR (upstream of N-ras) protein.
J.Struct.Funct.Genom., 11, 2010
2YUX
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BU of 2yux by Molmil
Solution Structure of 3rd Fibronectin type three Domain of slow type Myosin-Binding Protein C
Descriptor: Myosin-binding protein C, slow-type
Authors:Niraula, T.N, Tochio, N, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-06
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of 3rd Fibronectin type three Domain of slow type Myosin-Binding Protein C
To be Published
5G0T
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BU of 5g0t by Molmil
InhA in complex with a DNA encoded library hit
Descriptor: 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Read, J.A, Breed, J.
Deposit date:2016-03-22
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
5G0U
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BU of 5g0u by Molmil
InhA in complex with a DNA encoded library hit
Descriptor: 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Read, J.A, Breed, J.
Deposit date:2016-03-22
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology
Proc.Natl.Acad.Sci.USA, 113, 2016
3FKR
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BU of 3fkr by Molmil
Structure of L-2-keto-3-deoxyarabonate dehydratase complex with pyruvate
Descriptor: L-2-keto-3-deoxyarabonate dehydratase, PHOSPHATE ION, SODIUM ION
Authors:Shimada, N, Mikami, B.
Deposit date:2008-12-17
Release date:2010-02-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural analysis of L -2-keto-3-deoxyarabonate dehydratase an enzyme involved in an alternative bacterial pathway of L-arabinose metabolism in complex with pyruvate
To be Published

222624

數據於2024-07-17公開中

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