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4Y14
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BU of 4y14 by Molmil
Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ...
著者Choy, M.S, Connors, C, Page, R, Peti, W.
登録日2015-02-06
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献PTP1B inhibition suggests a therapeutic strategy for Rett syndrome.
J.Clin.Invest., 125, 2015
4ZAM
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BU of 4zam by Molmil
Crystal structure of SHV-1 beta-lactamase bound to avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Krishnan, N, van den Akker, F.
登録日2015-04-13
公開日2016-01-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
5VF6
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BU of 5vf6 by Molmil
Crystal structure of single chain variable fragment (scFv45).
分子名称: single chain variable fragment
著者Shrestha, O.K, Tocilj, A, Joshua-Tor, L, Tonks, N.K.
登録日2017-04-06
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.635 Å)
主引用文献Harnessing insulin- and leptin-induced oxidation of PTP1B for therapeutic development.
Nat Commun, 9, 2018
5EE8
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BU of 5ee8 by Molmil
Crystal structure of S02030 boronic acid inhibitor complexed to SHV-1 beta-lactamase
分子名称: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
著者Krishnan, N, van den Akker, F.
登録日2015-10-22
公開日2016-01-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
7UAD
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BU of 7uad by Molmil
Crystal structure of human PTPN2 with inhibitor ABBV-CLS-484
分子名称: 5-{(7R)-1-fluoro-3-hydroxy-7-[(3-methylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl}-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, Tyrosine-protein phosphatase non-receptor type 2
著者Longenecker, K.L, Qiu, W, Sun, Q, Frost, J.M.
登録日2022-03-12
公開日2023-07-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.044 Å)
主引用文献The PTPN2/PTPN1 inhibitor ABBV-CLS-484 unleashes potent anti-tumour immunity.
Nature, 622, 2023
8DYG
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BU of 8dyg by Molmil
IL17A homodimer bound to Compound 7
分子名称: (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
分子名称: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYF
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IL17A homodimer bound to Compound 10
分子名称: (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYI
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BU of 8dyi by Molmil
IL17A homodimer bound to Compound 5
分子名称: (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A
著者Argiriadi, M.A, Goedken, E.R.
登録日2022-08-04
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
3HAZ
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BU of 3haz by Molmil
Crystal structure of bifunctional proline utilization A (PutA) protein
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Tanner, J.J.
登録日2009-05-03
公開日2010-02-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum
Proc.Natl.Acad.Sci.USA, 107, 2010
2G37
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BU of 2g37 by Molmil
Structure of Thermus thermophilus L-proline dehydrogenase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, proline dehydrogenase/delta-1-pyrroline-5-carboxylate dehydrogenase
著者Tanner, J.J, White, T.A.
登録日2006-02-17
公開日2007-02-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Kinetics of Monofunctional Proline Dehydrogenase from Thermus thermophilus.
J.Biol.Chem., 282, 2007
8EBZ
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BU of 8ebz by Molmil
Crystal Structure of GMPPNP-bound KRAS-G13D mutant at 1.2 Ang resolution
分子名称: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Chan, A.H, Simanshu, D.K.
登録日2022-08-31
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
8EPW
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BU of 8epw by Molmil
Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K.
登録日2022-10-06
公開日2023-06-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D .
Commun Biol, 6, 2023
8T71
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BU of 8t71 by Molmil
Crystal Structure of WT KRAS4a with bound GDP and Mg ion
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T72
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BU of 8t72 by Molmil
Crystal structure of WT KRAS4a with bound GMPPNP and Mg ion
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T75
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BU of 8t75 by Molmil
Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Whitley, M.J, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T74
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BU of 8t74 by Molmil
Crystal structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD)
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Whitley, M.J, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024
8T73
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Crystal structure of KRAS4a-R151G with bound GDP and Mg ion
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Tran, T.H, Whitley, M.J, Dharmaiah, S, Simanshu, D.K.
登録日2023-06-19
公開日2024-02-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Sci Adv, 10, 2024

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