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7C7D
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Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, alpha-1,3-glucanase
著者Itoh, T, Panti, N, Toyotake, Y, Hayashi, J, Suyotha, W, Yano, S, Wakayama, M, Hibi, T.
登録日2020-05-25
公開日2020-11-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystal structure of the catalytic unit of thermostable GH87 alpha-1,3-glucanase from Streptomyces thermodiastaticus strain HF3-3.
Biochem.Biophys.Res.Commun., 533, 2020
7E48
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Crystal structure of InhA in complex with 3-nitropropanoic acid inhibitor
分子名称: 3-NITROPROPANOIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
著者Songsiriritthigul, C, Hanwarinroj, C, Suttipanta, N, Kamsri, P, Kittakoop, P, Pungpo, P.
登録日2021-02-10
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of Mycobacterium tuberculosis InhA by 3-nitropropanoic acid.
Proteins, 90, 2022
5ZDO
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BU of 5zdo by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
分子名称: CHLORIDE ION, Glutamine-tRNA ligase
著者Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
登録日2018-02-23
公開日2018-12-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
5ZDL
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BU of 5zdl by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase
著者Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
登録日2018-02-23
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
5ZDK
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BU of 5zdk by Molmil
Crystal Structure Analysis of TtQRS in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, CHLORIDE ION, ...
著者Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
登録日2018-02-23
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
7WJL
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BU of 7wjl by Molmil
Crystal structure of S. cerevisiae Hos3
分子名称: ACETATE ION, Histone deacetylase HOS3, ZINC ION
著者Pang, N.N, Che, S.Y, Yang, N.
登録日2022-01-07
公開日2023-01-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterization of fungus-specific histone deacetylase Hos3 provides insights into developing selective inhibitors with antifungal activity.
J.Biol.Chem., 298, 2022
2JX2
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BU of 2jx2 by Molmil
Solution conformation of RNA-bound NELF-E RRM
分子名称: Negative elongation factor E
著者Jampani, N, Schweimer, K, Wenzel, S, Woehrl, B.M, Roesch, P.
登録日2007-11-02
公開日2008-04-08
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献NELF-E RRM Undergoes Major Structural Changes in Flexible Protein Regions on Target RNA Binding
Biochemistry, 47, 2008
3U59
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N-terminal 98-aa fragment of smooth muscle tropomyosin beta
分子名称: Tropomyosin beta chain
著者Jampani, N, Dominguez, R.
登録日2011-10-11
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of smooth muscle tropomyosin alpha and beta isoforms.
J.Biol.Chem., 287, 2012
3U1A
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N-terminal 81-aa fragment of smooth muscle tropomyosin alpha
分子名称: smooth muscle tropomyosin alpha
著者Jampani, N, Dominguez, R.
登録日2011-09-29
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of smooth muscle tropomyosin alpha and beta isoforms.
J.Biol.Chem., 287, 2012
3U1C
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Anti-parallel dimer of N-terminal 98-aa fragment of smooth muscle tropomyosin alpha
分子名称: Tropomyosin alpha-1 chain
著者Jampani, N, Dominguez, R.
登録日2011-09-29
公開日2011-11-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of smooth muscle tropomyosin alpha and beta isoforms.
J.Biol.Chem., 287, 2012
7W3D
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BU of 7w3d by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
分子名称: Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
著者Park, T.H, Lee, B.I.
登録日2021-11-25
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of BET specific bromodomain inhibitors with a novel scaffold.
Bioorg.Med.Chem., 72, 2022
3Q8T
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BU of 3q8t by Molmil
Crystal structure of the coiled coil domain of Beclin 1, an essential autophagy protein
分子名称: Beclin-1
著者Li, X, Zhao, Y.
登録日2011-01-07
公開日2012-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Imperfect interface of Beclin1 coiled-coil domain regulates homodimer and heterodimer formation with Atg14L and UVRAG
Nat Commun, 3, 2012
2LIX
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BU of 2lix by Molmil
Solution structure Analysis of the ImKTx104
分子名称: Potassium Channel Toxins
著者Zeng, D.Y, Jiang, L.
登録日2011-09-01
公開日2012-07-25
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Structural and functional diversity of acidic scorpion potassium channel toxins.
Plos One, 7, 2012
1SPR
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BU of 1spr by Molmil
BINDING OF A HIGH AFFINITY PHOSPHOTYROSYL PEPTIDE TO THE SRC SH2 DOMAIN: CRYSTAL STRUCTURES OF THE COMPLEXED AND PEPTIDE-FREE FORMS
分子名称: PHOSPHATE ION, SRC TYROSINE KINASE SH2 DOMAIN
著者Waksman, G, Kuriyan, J.
登録日1993-03-05
公開日1994-05-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding of a high affinity phosphotyrosyl peptide to the Src SH2 domain: crystal structures of the complexed and peptide-free forms.
Cell(Cambridge,Mass.), 72, 1993
5D4E
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Crystal structure of Thermus thermophilus product complex for transcription initiation with 3'-dephosphate-CoA and CTP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, DEPHOSPHO COENZYME A, DIPHOSPHATE, ...
著者Zhang, Y, Ebright, R.H.
登録日2015-08-07
公開日2016-07-06
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
3UIL
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BU of 3uil by Molmil
Crystal Structure of the complex of PGRP-S with lauric acid at 2.2 A resolution
分子名称: GLYCEROL, LAURIC ACID, Peptidoglycan recognition protein 1
著者Dube, D, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-11-05
公開日2012-07-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site
Arch.Biochem.Biophys., 529, 2013
3USX
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Crystal structure of PGRP-S complexed with Myristic Acid at 2.28 A resolution
分子名称: GLYCEROL, MYRISTIC ACID, Peptidoglycan recognition protein 1
著者Yamini, S, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-11-24
公開日2012-01-11
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site
Arch.Biochem.Biophys., 529, 2013
9F2P
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Crystal structure of Keap1 kelch domain in complex with a fluorenone-based small molecule inhibitor at 1.36A resolution
分子名称: (R)-2-(3-(((4-methoxyphenyl)sulfonamido)methyl)phenyl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2024-04-23
公開日2024-10-30
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Guided Conformational Restriction Leading to High-Affinity, Selective, and Cell-Active Tetrahydroisoquinoline-Based Noncovalent Keap1-Nrf2 Inhibitors.
J.Med.Chem., 2024
9F2Q
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Crystal structure of Keap1 kelch domain in complex with a tetrahydroisoquinoline-based small molecule inhibitor at 1.2A resolution
分子名称: (R)-2-(2-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2024-04-23
公開日2024-10-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-Guided Conformational Restriction Leading to High-Affinity, Selective, and Cell-Active Tetrahydroisoquinoline-Based Noncovalent Keap1-Nrf2 Inhibitors.
J.Med.Chem., 2024
3V6Q
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Crystal structure of the complex of bovine lactoperoxidase with Carbon monoxide at 2.0 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yamini, S, Singh, A.K, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-12-20
公開日2012-02-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bovine carbonyl lactoperoxidase structure at 2.0 angstrom resolution and infrared spectra as a function of pH.
Protein J., 31, 2012
7T79
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
4FNN
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BU of 4fnn by Molmil
Crystal structure of the complex of CPGRP-S with stearic acid at 2.2 A RESOLUTION
分子名称: Peptidoglycan recognition protein 1, STEARIC ACID
著者Dube, D, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-06-20
公開日2012-07-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site.
Arch.Biochem.Biophys., 529, 2013
1BKM
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COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX
分子名称: PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE
著者Holland, D.R, Rubin, J.R.
登録日1997-05-02
公開日1997-07-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain
J.Am.Chem.Soc., 119, 1997
2MCG
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THREE-DIMENSIONAL STRUCTURE OF A LIGHT CHAIN DIMER CRYSTALLIZED IN WATER. CONFORMATIONAL FLEXIBILITY OF A MOLECULE IN TWO CRYSTAL FORMS
分子名称: IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN)
著者Ely, K.R, Herron, J.N, Edmundson, A.B.
登録日1989-05-09
公開日1990-10-15
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of a light chain dimer crystallized in water. Conformational flexibility of a molecule in two crystal forms.
J.Mol.Biol., 210, 1989

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