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2E9A
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E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628
分子名称: (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase
著者Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J.
登録日2007-01-24
公開日2007-06-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6ZKY
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Crystal structure of InhA:01 TCR in complex with HLA-E (S147C) bound to InhA (53-61 H3C)
分子名称: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
著者Srikannathasan, V, Karuppiah, V, Robinson, R.A.
登録日2020-06-30
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKX
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Crystal structure of InhA:01 TCR in complex with HLA-E (Y84C) bound to InhA (53-61 GCG)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Srikannathasan, V, Karuppiah, V, Robinson, R.A.
登録日2020-06-30
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKZ
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Crystal structure of InhA:01 TCR in complex with HLA-E (F116C) bound to InhA (53-61 H4C)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Srikannathasan, V, Karuppiah, V, Robinson, R.A.
登録日2020-06-30
公開日2022-01-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6ZKW
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Crystal structure of InhA:01 TCR in complex with HLA-E bound to InhA (53-61)
分子名称: Beta-2-microglobulin, Enoyl-[acyl-carrier-protein] reductase [NADH], HLA class I histocompatibility antigen, ...
著者Srikannathasan, V, Karuppiah, V, Robinson, R.A.
登録日2020-06-30
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure-guided stabilization of pathogen-derived peptide-HLA-E complexes using non-natural amino acids conserves native TCR recognition.
Eur.J.Immunol., 52, 2022
6C9Q
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Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine
分子名称: 5'-amino-5'-deoxyadenosine, Adenosine kinase
著者Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
6ZH0
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Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
分子名称: 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ...
著者Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W.
登録日2020-06-20
公開日2022-06-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
4Y8Y
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Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ...
著者Wei, A.
登録日2015-02-16
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety.
ACS Med Chem Lett, 6, 2015
1KW0
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Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ...
著者Andersen, O.A, Flatmark, T, Hough, E.
登録日2002-01-28
公開日2003-01-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Ternary Complex of the Catalytic Domain of Human Phenylalanine Hydroxylase with Tetrahydrobiopterin and 3-(2-thienyl)-L-alanine, and its Implications for the Mechanism of Catalysis and Substrate Activation
J.Mol.Biol., 320, 2002
6ZMC
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Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 2000 bar using the high pressure freezing method
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGON, CALCIUM ION, ...
著者Carpentier, P, Atta, M.
登録日2020-07-02
公開日2020-09-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction.
Nucleic Acids Res., 48, 2020
8BM6
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Hairpin adopted by oligonucleotide A36 found in the promoter of AUTS2 gene
分子名称: A36
著者Novotny, A.
登録日2022-11-10
公開日2023-02-22
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene.
Nucleic Acids Res., 51, 2023
1KCF
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Crystal Structure of the Yeast Mitochondrial Holliday Junction Resolvase, Ydc2
分子名称: HYPOTHETICAL 30.2 KD PROTEIN C25G10.02 IN CHROMOSOME I, SULFATE ION
著者Ceschini, S, Keeley, A, McAlister, M.S.B, Oram, M, Phelan, J, Pearl, L.H, Tsaneva, I.R, Barrett, T.E.
登録日2001-11-08
公開日2001-11-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the fission yeast mitochondrial Holliday junction resolvase Ydc2.
EMBO J., 20, 2001
8BM7
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Hairpin adopted by oligonucleotide A38 found in the promoter of AUTS2 gene.
分子名称: A38
著者Novotny, A.
登録日2022-11-10
公開日2023-02-22
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structural polymorphism driven by a register shift in a CGAG-rich region found in the promoter of the neurodevelopmental regulator AUTS2 gene.
Nucleic Acids Res., 51, 2023
6C9N
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BU of 6c9n by Molmil
Mycobacterium tuberculosis adenosine kinase bound to sangivamycin
分子名称: Adenosine kinase, GLYCEROL, SANGIVAMYCIN, ...
著者Crespo, R.A, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-28
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
1KCM
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Crystal Structure of Mouse PITP Alpha Void of Bound Phospholipid at 2.0 Angstroms Resolution
分子名称: Phosphatidylinositol Transfer Protein alpha
著者Schouten, A, Agianian, B, Westerman, J, Kroon, J, Wirtz, K.W.A, Gros, P.
登録日2001-11-09
公開日2002-05-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of apo-phosphatidylinositol transfer protein alpha provides insight into membrane association.
EMBO J., 21, 2002
5FRM
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BU of 5frm by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ384 (compound 4a)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-azanylidene-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*CP*GP*CP*A)-3', ...
著者Maskell, D.P, Pye, V.E, Cherepanov, P.
登録日2015-12-18
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献HIV-1 Integrase Strand Transfer Inhibitors with Reduced Susceptibility to Drug Resistant Mutant Integrases.
Acs Chem.Biol., 11, 2016
2E95
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S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675
分子名称: 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
著者Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J.
登録日2007-01-24
公開日2007-06-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E94
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S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364
分子名称: 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
著者Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
登録日2007-01-24
公開日2007-06-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
1KEQ
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Crystal Structure of F65A/Y131C Carbonic Anhydrase V, covalently modified with 4-chloromethylimidazole
分子名称: 4-METHYLIMIDAZOLE, ACETIC ACID, F65A/Y131C-MI Carbonic Anhydrase V, ...
著者Jude, K.M, Wright, S.K, Tu, C, Silverman, D.N, Viola, R.E, Christianson, D.W.
登録日2001-11-16
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of F65A/Y131C-methylimidazole carbonic anhydrase V reveals architectural features of an engineered proton shuttle.
Biochemistry, 41, 2002
5CF4
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CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
分子名称: N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-07-08
公開日2015-08-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
2AOU
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Histamine Methyltransferase Complexed with the Antimalarial Drug Amodiaquine
分子名称: 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, Histamine N-methyltransferase
著者Horton, J.R, Sawada, K, Nishibori, M, Cheng, X.
登録日2005-08-14
公開日2005-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for inhibition of histamine N-methyltransferase by diverse drugs
J.Mol.Biol., 353, 2005
8BE7
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Crystal structure of SOS1-HRas-peptidomimetic3
分子名称: GTPase HRas, SOS1-HRas-peptidomimetic3, Son of sevenless homolog 1
著者Fischer, B, Wohlkonig, A, Steyaert, J.
登録日2022-10-21
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
1KGI
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Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac)
分子名称: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN
著者Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W.
登録日2001-11-27
公開日2002-11-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution.
Acta Biochim.Pol., 48, 2001
8BE6
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Crystal structure of SOS1-HRas-peptidomimetic2
分子名称: GTPase HRas, SOS1-HRas-peptidomimetic2, Son of sevenless homolog 1
著者Fischer, B, Wohlkonig, A, Steyaert, J.
登録日2022-10-21
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.89880252 Å)
主引用文献Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE8
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Crystal structure of SOS1-HRas-peptidomimetic4
分子名称: FORMIC ACID, GTPase HRas, SOS1-HRas-peptidomimetic4, ...
著者Fischer, B, Wohlkonig, A, Steyaert, J.
登録日2022-10-21
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023

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