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7ROR
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BU of 7ror by Molmil
Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP
分子名称: 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, MAGNESIUM ION, ...
著者Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
登録日2021-08-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
7ROS
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BU of 7ros by Molmil
Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ...
著者Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
登録日2021-08-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
7ROU
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BU of 7rou by Molmil
Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr
分子名称: SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ...
著者Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
登録日2021-08-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
7ROT
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BU of 7rot by Molmil
Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr
分子名称: CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ...
著者Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W.
登録日2021-08-02
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
5A13
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BU of 5a13 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with thiocyanate
分子名称: CHLORITE DISMUTASE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Correia, H.D, Santos-Silva, T.
登録日2015-04-27
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
5A12
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BU of 5a12 by Molmil
Crystal structure of Chlorite Dismutase from Magnetospirillum sp. in complex with azide
分子名称: AZIDE ION, CHLORITE DISMUTASE, GLYCEROL, ...
著者Correia, H.D, Santos-Silva, T.
登録日2015-04-27
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Ligand Binding to Chlorite Dismutase from Magnetospirillum Sp.
J.Phys.Chem.B, 119, 2015
4P5S
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BU of 4p5s by Molmil
Structure of reduced W45Y mutant of amicyanin
分子名称: Amicyanin, COPPER (I) ION
著者Sukumar, N, Davidson, V.L.
登録日2014-03-19
公開日2014-04-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The sole tryptophan of amicyanin enhances its thermal stability but does not influence the electronic properties of the type 1 copper site.
Arch.Biochem.Biophys., 550-551, 2014
4MOT
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BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
分子名称: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
著者Ogg, D, Boriack-Sjodin, P.A.
登録日2013-09-12
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
4P5R
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BU of 4p5r by Molmil
Structure of oxidized W45Y mutant of amicyanin
分子名称: Amicyanin, COPPER (II) ION, SODIUM ION
著者Sukumar, N, Davidson, V.L.
登録日2014-03-19
公開日2014-04-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献The sole tryptophan of amicyanin enhances its thermal stability but does not influence the electronic properties of the type 1 copper site.
Arch.Biochem.Biophys., 550-551, 2014
1J1U
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BU of 1j1u by Molmil
Crystal structure of archaeal tyrosyl-tRNA synthetase complexed with tRNA(Tyr) and L-tyrosine
分子名称: MAGNESIUM ION, TYROSINE, Tyrosyl-tRNA synthetase, ...
著者Kobayashi, T, Nureki, O, Ishitani, R, Tukalo, M, Cusack, S, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-12-17
公開日2003-06-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for orthogonal tRNA specificities of tyrosyl-tRNA synthetases for genetic code expansion
NAT.STRUCT.BIOL., 10, 2003
1HDL
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BU of 1hdl by Molmil
LEKTI domain one
分子名称: SERINE PROTEINASE INHIBITOR LEKTI
著者Lauber, T, Roesch, P, Marx, U.C.
登録日2000-11-16
公開日2001-11-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti
J.Mol.Biol., 328, 2003
1H0Z
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BU of 1h0z by Molmil
LEKTI domain six
分子名称: SERINE PROTEASE INHIBITOR KAZAL-TYPE 5, CONTAINS HEMOFILTRATE PEPTIDE HF6478, HEMOFILTRATE PEPTIDE HF7665
著者Lauber, T, Roesch, P, Marx, U.C.
登録日2002-07-01
公開日2003-06-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti
J.Mol.Biol., 328, 2003
3T3C
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BU of 3t3c by Molmil
Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, HIV-1 protease, ...
著者Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G.
登録日2011-07-25
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease.
Antimicrob.Agents Chemother., 56, 2012
2W3S
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BU of 2w3s by Molmil
Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in Complex with Xanthine
分子名称: CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Dietzel, U, Kuper, J, Leimkuhler, S, Kisker, C.
登録日2008-11-14
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
5OR6
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BU of 5or6 by Molmil
Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid
分子名称: (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ...
著者Freigang, J.
登録日2017-08-15
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses
Eur.J.Org.Chem., 2018
2W2H
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BU of 2w2h by Molmil
Structural basis of transcription activation by the Cyclin T1-Tat-TAR RNA complex from EIAV
分子名称: 5'-R(*GP*CP*UP*CP*AP*GP*AP*UP*CP*UP *GP*CP*GP*GP*UP*CP*UP*GP*AP*GP*C)-3', CYCLIN-T1, MANGANESE (II) ION, ...
著者Anand, K, Geyer, M.
登録日2008-10-30
公開日2008-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural Insights Into the Cyclin T1-Tat-Tar RNA Transcription Activation Complex from Eiav.
Nat.Struct.Mol.Biol., 15, 2008
5OR2
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BU of 5or2 by Molmil
Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid
分子名称: (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ...
著者Freigang, J.
登録日2017-08-15
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses
Eur.J.Org.Chem., 2018
2W3R
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BU of 2w3r by Molmil
Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in complex with hypoxanthine
分子名称: CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Dietzel, U, Kuper, J, Leimkuhler, S, Kisker, C.
登録日2008-11-14
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
2W55
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BU of 2w55 by Molmil
Crystal Structure of Xanthine Dehydrogenase (E232Q variant) from Rhodobacter capsulatus in Complex with Hypoxanthine
分子名称: BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C.
登録日2008-12-04
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
2W54
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BU of 2w54 by Molmil
Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde
分子名称: 6-HYDROXYMETHYLPTERIN, BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C.
登録日2008-12-04
公開日2008-12-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase.
J.Biol.Chem., 284, 2009
1E7W
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BU of 1e7w by Molmil
One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes
分子名称: 1,2-ETHANEDIOL, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gourley, D.G, Hunter, W.N.
登録日2000-09-11
公開日2001-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites.
Nat.Struct.Biol., 8, 2001
6ST7
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BU of 6st7 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp
分子名称: ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
登録日2019-09-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
6ST6
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BU of 6st6 by Molmil
Crystal Structure of Domain Swapped Trp Repressor V58I Variant
分子名称: ISOPROPYL ALCOHOL, Trp operon repressor
著者Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L.
登録日2019-09-10
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan.
Acta Crystallogr.,Sect.F, 77, 2021
3ZM3
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BU of 3zm3 by Molmil
Catalytic domain of human SHP2
分子名称: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11
著者Bohm, K, Schuetz, A, Roske, Y, Heinemann, U.
登録日2013-02-04
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015
3ZM1
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BU of 3zm1 by Molmil
Catalytic domain of human SHP2
分子名称: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 11
著者Bohm, K, Schuetz, A, Roske, Y, Heinemann, U.
登録日2013-02-04
公開日2014-04-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.
Chemmedchem, 10, 2015

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