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5JPX
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Solution structure of the TRIM21 B-box2 (B2)
分子名称: E3 ubiquitin-protein ligase TRIM21, ZINC ION
著者Wallenhammar, A, Anandapadamanaban, M, Sunnerhagen, M.
登録日2016-05-04
公開日2017-08-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the TRIM21 B-box2 and identification of residues involved in its interaction with the RING domain.
PLoS ONE, 12, 2017
6VRG
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BU of 6vrg by Molmil
Structure of HIV-1 integrase with native amino-terminal sequence
分子名称: Integrase, PHOSPHATE ION, POTASSIUM ION, ...
著者Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D.
登録日2020-02-07
公開日2020-09-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Influence of the amino-terminal sequence on the structure and function of HIV integrase.
Retrovirology, 17, 2020
1NYW
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BU of 1nyw by Molmil
The high resolution structures of RmlC from Streptoccus suis in complex with dTDP-D-glucose
分子名称: 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
著者Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
登録日2003-02-14
公開日2003-06-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
1NZC
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BU of 1nzc by Molmil
The high resolution structures of RmlC from Streptococcus suis in complex with dTDP-D-xylose
分子名称: NICKEL (II) ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
著者Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
登録日2003-02-17
公開日2003-06-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
1NXM
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BU of 1nxm by Molmil
The high resolution structures of RmlC from Streptococcus suis
分子名称: dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase
著者Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H.
登録日2003-02-11
公開日2003-06-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme
Structure, 11, 2003
4GVB
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BU of 4gvb by Molmil
Crystal structure of the virally encoded antifungal protein, KP6, heterodimer
分子名称: KP6 killer toxin subunit alpha, KP6 killer toxin subunit beta
著者Smith, T.
登録日2012-08-30
公開日2012-12-19
最終更新日2013-02-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Atomic Structure of the Virally Encoded Antifungal Protein, KP6.
J.Mol.Biol., 425, 2013
8CT5
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BU of 8ct5 by Molmil
Catalytic Core Domain of HIV-1 Integrase (F185K)
分子名称: Integrase, SULFATE ION
著者Gupta, K, Van Duyne, G.D, Eilers, G.
登録日2022-05-13
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CTA
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Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains
分子名称: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase
著者Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D.
登録日2022-05-13
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
8CT7
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Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436
分子名称: (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ...
著者Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D.
登録日2022-05-13
公開日2023-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization.
Plos Pathog., 19, 2023
6H1E
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BU of 6h1e by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide
分子名称: HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ...
著者Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
登録日2018-07-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
6H1D
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BU of 6h1d by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH
分子名称: HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE
著者Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
登録日2018-07-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
6E1J
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BU of 6e1j by Molmil
Crystal Structure of Methylthioalkylmalate Synthase (BjuMAM1.1) from Brassica juncea
分子名称: 2-isopropylmalate synthase, A genome specific 1, 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, ...
著者Lee, S.G, Jez, J.M.
登録日2018-07-09
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Molecular Basis of the Evolution of Methylthioalkylmalate Synthase and the Diversity of Methionine-Derived Glucosinolates.
Plant Cell, 31, 2019
6G9P
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Structural basis for the inhibition of E. coli PBP2
分子名称: Peptidoglycan D,D-transpeptidase MrdA
著者Ruff, M, Levy, N.
登録日2018-04-11
公開日2019-05-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62, 2019
7KQV
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BU of 7kqv by Molmil
Crystal Structure of aldehyde dehydrogenase (ChALDH) from Cladosporium herbarum
分子名称: Aldehyde dehydrogenase
著者Lee, S.G, Jez, J.M.
登録日2020-11-17
公開日2021-11-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022
7KRG
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BU of 7krg by Molmil
Crystal Structure of Mannitol Dehydrogenase (ChMDH) from Cladosporium herbarum in complex with NADP+ and Na
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent mannitol dehydrogenase, SODIUM ION
著者Lee, S.G, Jez, J.M.
登録日2020-11-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03797364 Å)
主引用文献Biochemical and clinical studies of putative allergens to assess what distinguishes them from other non-allergenic proteins in the same family.
Transgenic Res, 31, 2022
7PUK
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BU of 7puk by Molmil
Crystal structure of Endoglycosidase E GH18 domain from Enterococcus faecalis in complex with Man5 product
分子名称: Beta-N-acetylhexosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M.
登録日2021-09-30
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE.
Nat Commun, 13, 2022
7PUJ
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Crystal structure of Endoglycosidase E GH18 domain from Enterococcus faecalis
分子名称: Beta-N-acetylhexosaminidase, CHLORIDE ION, ZINC ION
著者Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M.E.
登録日2021-09-30
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE.
Nat Commun, 13, 2022
7PUL
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Crystal structure of Endoglycosidase E GH20 domain from Enterococcus faecalis
分子名称: Beta-N-acetylhexosaminidase, CALCIUM ION, GLY-ALA-GLY-ALA-ALA, ...
著者Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M.
登録日2021-09-30
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE.
Nat Commun, 13, 2022
6O8I
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BTK In Complex With Inhibitor
分子名称: 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK
著者Pokross, M, Tebben, A.J, Watterson, S.H.
登録日2019-03-11
公開日2019-04-03
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
6AZW
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IDO1/FXB-001116 crystal structure
分子名称: (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A, Lammens, A, Steinbacher, S.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AZV
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BU of 6azv by Molmil
IDO1/BMS-978587 crystal structure
分子名称: (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1
著者Lewis, H.A.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.755 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6AZU
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BU of 6azu by Molmil
Holo IDO1 crystal structure
分子名称: Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Lewis, H.A, Yan, C.
登録日2017-09-13
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.822 Å)
主引用文献Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6E24
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BU of 6e24 by Molmil
Ternary structure of c-Myc-TBP-TAF1
分子名称: Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein
著者Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2018-07-10
公開日2019-10-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Multiple direct interactions of TBP with the MYC oncoprotein.
Nat.Struct.Mol.Biol., 26, 2019
6E16
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Ternary structure of c-Myc-TBP-TAF1
分子名称: Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein
著者Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2018-07-09
公開日2019-10-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multiple direct interactions of TBP with the MYC oncoprotein.
Nat.Struct.Mol.Biol., 26, 2019
2X8D
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Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
分子名称: 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
登録日2010-03-08
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010

 

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